SCHEMBL803041

SCHEMBL803041

Cc1cccc(Cl)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.35
HDAC4 P56524 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
ACHE P22303 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL78160 0.85 CYP1A2 (0.43) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL22989580 0.82 PDK1 (0.42) GABRA1GABRB2ALDH1A1PDK1PDK2
SCHEMBL8387574 0.82 GABRA1 (0.48) GABRA1GABRB2ALDH1A1CYP1A2CYP2A6
SCHEMBL2687017 0.82 GABRA1 (0.48) GABRA1GABRB2ALDH1A1CYP1A2CYP2A6
SCHEMBL30302078 0.79 NOTUM (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL5995973 0.79 NOTUM (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL13755139 0.79 LMNA (0.38) GABRA1GABRB2ALDH1A1PDK1PDK2
SCHEMBL15132131 0.76 CA2 (0.46) GABRA1GABRB2ALDH1A1PDK1PDK2
SCHEMBL19833123 0.76 KDM4E (0.35) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL802985 0.74 GAA (0.41) ALDH1A1CYP1A2CYP2A6GAAHDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-07-11 US disclosed
US-7396857-B2 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2008-07-08 US disclosed
US-7368477-B2 Benzofuranyl alkanamine derivatives and uses thereof WYETH (US) 2008-05-06 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B GABRA1 4178/4885GABRB2 3396/4885ALDH1A1 2504/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B GABRA1 4178/4885GABRB2 3396/4885ALDH1A1 2504/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 GABRA1 2681/4885GABRB2 2532/4885ALDH1A1 3666/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C GABRA1 455/4885GABRB2 743/4885ALDH1A1 2329/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE GABRA1 159/4885GABRB2 118/4885ALDH1A1 611/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 GABRA1 2726/4885GABRB2 3045/4885ALDH1A1 3210/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS GABRA1 2449/4885GABRB2 2986/4885ALDH1A1 3193/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R GABRA1 117/4885GABRB2 144/4885ALDH1A1 809/4885
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors BCL2, BCL2L1, BCL2A1 GABRA1 1445/4885GABRB2 658/4885ALDH1A1 758/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GABRA1 699/4885GABRB2 772/4885ALDH1A1 2289/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GABRA1 3062/4885GABRB2 3821/4885ALDH1A1 3705/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 GABRA1 250/4885GABRB2 449/4885ALDH1A1 1619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.