SCHEMBL1896855

SCHEMBL1896855

Clc1ccccc1-c1c[c]on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL4307353 0.78 MAPT (0.44) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL2123728 0.77 NPC1 (0.42) IDO1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2122470 0.77 IDO1 (0.42) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2122676 0.77 IDO1 (0.42) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2121002 0.73 NOTUM (0.42) TSHRCYP1A2CYP2C19NOTUMCYP3A4
SCHEMBL2122409 0.73 METAP2 (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL10885522 0.72 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL346163 0.69 NOTUM (0.42) NPC1RAB9ASMN1; SMN2CYP1A2MAPT
SCHEMBL2123730 0.69 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3937636 0.69 AHR (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US claimed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 US claimed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US claimed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP claimed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 US claimed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP claimed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US claimed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP claimed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP claimed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-20200045972-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
US-8765791-B2 Method of treating cancer using a neuropeptide Y 5R (NP Y5R) antagonist UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed
US-4203896-A WITH MERCURIC ACETATE AND ACETIC ACID, ACIDIC HYDROLYSIS OF N-PROPENYL GROUP ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4144232-A Substituted azetidin-2-one antibiotics ELI LILLY AND COMPANY (US) 1979-03-13 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 (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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 IDO1 2242/4885NPC1 400/4885RAB9A 2024/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 IDO1 2242/4885NPC1 400/4885RAB9A 2024/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK IDO1 2583/4885NPC1 627/4885RAB9A 2196/4885
US-20200045972-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C IDO1 140/4885NPC1 4288/4885RAB9A 1860/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB IDO1 3593/4885NPC1 246/4885RAB9A 1046/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR IDO1 739/4885NPC1 4365/4885RAB9A 4080/4885

“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.