SCHEMBL1004137

SCHEMBL1004137

NC(=O)c1ccccc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
METAP2 P50579 1/20 0.47
BCAT2 O15382 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ADRA1D P25100 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL10407368 0.83 KDM4E (0.47) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL5597841 0.83 CES2 (0.39) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL3145510 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPTGAAL3MBTL1
SCHEMBL4735612 0.82 ALDH1A1 (0.54) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL7134588 0.82 TSHR (0.54) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL6075761 0.82 KDM4E (0.41) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL619877 0.80 ALDH1A1 (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL162322 0.80 MAPT (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL6555382 0.80 MAPT (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL405123 0.80 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
CN-118222491-B Method for improving in-vitro development capacity of small amount of frozen immature oocytes 云南省畜牧兽医科学院 2024-07-26 CN disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-118222491-A Method for improving in-vitro development capacity of small amount of frozen immature oocytes 云南省畜牧兽医科学院 2024-06-21 CN disclosed
CN-113207298-B Technique for preparing myocardial cell aggregate for improving survival rate under freezing preservation and hypoxia condition T&R碧欧法博有限公司 2024-05-28 CN disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
CN-113207298-A Preparation technology of myocardial cell aggregate for improving survival rate under cryopreservation and hypoxia conditions T&R碧欧法博有限公司 2021-08-03 CN disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
US-5798276-A DETECTING COMPLEMENTARY MEMBER OF SPECIFIC BINDING PAIR USING FLUORESCENT CONJUGATE MOLECULAR PROBES, INC. (US) 1998-08-25 US disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
US-5652363-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISEASES C.D. SEARLE & CO. (US) 1997-07-29 US disclosed
EP-0307817-A1 Double reacting dyes and benzyl sulfonyl intermediates BASF Aktiengesellschaft (DE) 1989-03-22 EP disclosed
EP-0038541-B1 NOVEL PRODRUGS OF BIOLOGICALLY ACTIVE AGENTS CONTAINING MERCAPTO GROUPS, PROCESS FOR PREPARING AND THERAPEUTICALLY EFFECTIVE COMPOSITION CONTAINING THE SAME MERCK & CO. INC. (US) 1986-08-13 EP disclosed
US-4443435-A ANTICARCINOGENS, HYPOTENSIVE AGENTS, HYPERTHYROIDISM MERCK & CO., INC. (US) 1984-04-17 US disclosed
EP-0038541-A1 Novel prodrugs of biologically active agents containing mercapto groups, process for preparing and therapeutically effective composition containing the same MERCK & CO. INC. (US) 1981-10-28 EP 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 (3 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-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 KDM4E 1773/4885ALDH1A1 133/4885TSHR 766/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 KDM4E 1773/4885ALDH1A1 133/4885TSHR 766/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 KDM4E 2141/4885ALDH1A1 161/4885TSHR 776/4885

“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.