SCHEMBL674972

SCHEMBL674972

[CH2]c1ccc(-n2cccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
HDAC4 P56524 1/20 0.42
CHRM1 P11229 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 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
SCHEMBL4341894 0.89 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL6879933 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL173885 0.80 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL27250 0.79 NOTUM (0.65) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL82721 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL8116096 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1CHRNA7
Hydrochloric Acid SCHEMBL7809916 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL482303 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL182132 0.78 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPK1CHRNA7
Formaldehyde SCHEMBL27652263 0.78 NOTUM (0.59) NOTUMKDM4EALDH1A1MAPK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105828817-B Pharmaceutical composition containing pyridylaminoacetic acid compound and polyoxyethylated castor oil 参天制药株式会社 2019-07-05 CN claimed
EP-1812406-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2018-09-12 EP claimed
CN-105828817-A Pharmaceutical composition containing pyridylaminoacetic acid compound and polyoxyethylated castor oil 参天制药株式会社 2016-08-03 CN claimed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN claimed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN claimed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP claimed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US claimed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP claimed
CN-102639495-A Pyrrolidine GPR40 Modulators BRISTOL MYERS SQUIBB CO 2012-08-15 CN claimed
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN claimed
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer NG RAYMOND 2008-05-22 US claimed
CN-101133036-A Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 CN claimed
EP-1812406-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP claimed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US claimed
CN-1787999-A Histone deacetylase inhibitors TAKEDA SAN DIEGO INC (US) 2006-06-14 CN claimed
US-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-25 US claimed
WO-2006039215-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 NOTUM 2147/4885KDM4E 111/4885ALDH1A1 1934/4885
US-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) AR, NR5A1, ESRRA NOTUM 2726/4885KDM4E 1086/4885ALDH1A1 752/4885
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer AR, FSHR, BRDT NOTUM 1537/4885KDM4E 528/4885ALDH1A1 888/4885
US-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 NOTUM 2478/4885KDM4E 129/4885ALDH1A1 1731/4885

“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.