SCHEMBL1720041

SCHEMBL1720041

COc1cc(OC)nc(C(=O)c2ccccc2N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.49
CFTR P13569 1/20 0.49
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 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
SCHEMBL2289038 0.81 NPC1 (0.43) GAAEDNRBEDNRACYP1A2CYP2C9
SCHEMBL3742998 0.81 CYP1A2 (0.37) GAANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2289383 0.81 NPSR1 (0.47) ALDH1A1GAANPSR1CYP1A2CYP2C9
SCHEMBL3739810 0.81 NPC1 (0.37) ALDH1A1GAANPSR1CYP1A2CYP2C9
SCHEMBL7111143 0.80 MTNR1A (0.39) HSD17B10ALOX15
SCHEMBL1720657 0.77 KDM4E (0.41) ALDH1A1TP53KDM4ENPC1RAB9A
SCHEMBL10181023 0.77 CYP1A2 (0.53) ALDH1A1CYP1A2KDM4ESMN1; SMN2CTSA
SCHEMBL2283859 0.76 NPSR1 (0.44) ALDH1A1GAAMAPTNPSR1CYP1A2
SCHEMBL2292844 0.76 CYP1A2 (0.40) ALDH1A1GAAMAPTNPSR1EDNRB
SCHEMBL2288581 0.75 SMN1; SMN2 (0.40) ALDH1A1HSD17B10MAPTNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334968-B1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-01-11 EP disclosed
US-7820861-B2 chemical intermediate for a sulfonanilide of 4,6-dimethoxypyrmidine derivative herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-26 US disclosed
US-7531654-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-05-12 US disclosed
US-7521555-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-04-21 US disclosed
US-7504503-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-17 US disclosed
EP-2025665-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2009-02-18 EP disclosed
US-7271263-B2 Process for production of substituted aniline compound IHARA CHEMICAL INDUSTRY, CO., LTD. (JP) 2007-09-18 US disclosed
US-20070213561-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-13 US disclosed
US-20070213533-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-13 US disclosed
US-20070213532-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-13 US disclosed
US-20060281765-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-12-14 US disclosed
US-20040034251-A1 Process for production of substituted aniline compound 1HARA CHEMICAL INDUSTRY CO., LT.D. (JP) 2004-02-19 US disclosed
EP-1334968-A1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2003-08-13 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 (5 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-20040034251-A1 Process for production of substituted aniline compound NAT1, CBR3, AADAC ALDH1A1 189/4885HSD17B10 99/4885CFTR 1523/4885
US-20070213561-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 ALDH1A1 207/4885HSD17B10 72/4885CFTR 1951/4885
US-20060281765-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 ALDH1A1 207/4885HSD17B10 72/4885CFTR 1951/4885
US-20070213532-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 ALDH1A1 207/4885HSD17B10 72/4885CFTR 1951/4885
US-20070213533-A1 Process for producing substituted aniline compound AADAC, NAT1, CBR3 ALDH1A1 212/4885HSD17B10 92/4885CFTR 2042/4885

“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.