SCHEMBL4491047

SCHEMBL4491047

c1ccc(Cc2ccc(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CALM1 P0DP23 1/20 0.44
DAO P14920 1/20 0.43
AOC3 Q16853 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NOTUM Q6P988 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 1/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL890971 0.82 CALM1 (0.58) CALM1DAOAOC3HRH3TAAR1
SCHEMBL7458329 0.78 PTGS2 (0.47) CYP1A2CYP2C9HSD17B10NR1H2NR1H3
SCHEMBL22734764 0.77 CYP1A2 (0.55) CYP1A2CYP2C9HSD17B10NOTUMSMN1; SMN2
SCHEMBL28170953 0.77 CYP1A2 (0.59) CYP1A2CYP2C9HSD17B10NOTUMPDE10A
SCHEMBL8962625 0.76 CHUK (0.42) CYP1A2CYP2C9HSD17B10CALM1AOC3
SCHEMBL4489068 0.74 HSD17B10 (0.45) CYP1A2CYP2C9HSD17B10NOTUMHTR6
SCHEMBL1536003 0.74 NOTUM (0.56) CYP1A2CYP2C9HSD17B10NOTUMSMN1; SMN2
SCHEMBL7106433 0.73 CYP1A2 (0.61) CYP1A2CYP2C9HSD17B10NOTUMPDE10A
SCHEMBL28146332 0.72 CALM1 (0.46) CALM1DAOAOC3HRH3TAAR1
SCHEMBL23303471 0.72 CYP1A2 (0.50) CYP1A2CYP2C9HSD17B10HRH3TAAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200384451-A1 PHOSPHINE FREE COBALT BASED CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-12-10 US claimed
US-20200384451-A1 PHOSPHINE FREE COBALT BASED CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-12-10 US disclosed
CN-105008367-B It is used as the pyrrolo-triazine class compound of potassium channel inhibitors 百时美施贵宝公司 2017-08-29 CN disclosed
WO-2012102247-A1 RUTHENIUM COMPLEX-CONTAINING CATALYST FOR HYDROGEN TRANSFER REACTION AND METHOD FOR PRODUCING HYDROGEN TRANSFER REACTION PRODUCT 国立大学法人名古屋大学 (JP) 2012-08-02 WO disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
CN-101146769-A Azolylacylguanidines as beta-secretase inhibitors WYETH CORP (US) 2008-03-19 CN disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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 (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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP CYP1A2 1411/4885CYP2C9 1152/4885HSD17B10 933/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP CYP1A2 1411/4885CYP2C9 1152/4885HSD17B10 933/4885
US-20200384451-A1 PHOSPHINE FREE COBALT BASED CATALYST, PROCESS FOR PREPARATION AND USE THEREOF CPNE4, PPOX, PDCD5 CYP1A2 353/4885CYP2C9 630/4885HSD17B10 2889/4885

“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.