SCHEMBL77644

SCHEMBL77644

Cc1nc(C(C)(C)C)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
CCR4 P51679 6/20 0.44
LMNA P02545 3/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2608449 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDCCR4LMNA
SCHEMBL19863776 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDCCR4LMNA
SCHEMBL11351815 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDCCR4KDM4E
SCHEMBL10245083 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDCCR4NPC1
SCHEMBL19309250 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDCCR4KDM4E
SCHEMBL343104 0.78 LMNA (0.41) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL21610734 0.78 HSD17B10 (0.40) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL18157876 0.77 CCR4 (0.46) ALDH1A1SMN1; SMN2HPGDCCR4LMNA
SCHEMBL2707018 0.75 CCR4 (0.44) ALDH1A1SMN1; SMN2HPGDCCR4LMNA
SCHEMBL3163858 0.75 CCR4 (0.44) ALDH1A1SMN1; SMN2HPGDCCR4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365976-B1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME (US) 2015-04-15 EP claimed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-11-16 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014920-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007010515-A1 IMPROVEMENTS TO ANALOGOUS COMPOUNDS OF 6-THIOGUANOSINE TRIPHOSPHATE, THEIR USE IN MEDICAL FIELDS AND PROCESSES FOR THEIR PREPARATION GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
WO-1998017631-A2 SUBSTITUTED OXIME-ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-04-30 WO 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 (6 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-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A ALDH1A1 2786/4885SMN1; SMN2 3017/4885HPGD 3438/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT ALDH1A1 208/4885SMN1; SMN2 3152/4885HPGD 436/4885
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF CACNA1G, CACNA1I, CACNG3 ALDH1A1 3418/4885SMN1; SMN2 807/4885HPGD 3645/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885SMN1; SMN2 4399/4885HPGD 1292/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 ALDH1A1 587/4885SMN1; SMN2 1237/4885HPGD 71/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885SMN1; SMN2 3107/4885HPGD 1165/4885

“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.