SCHEMBL3071818

SCHEMBL3071818

[c]1[nH]c2ccccc2c1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
ELANE P08246 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MMP2 P08253 2/20 0.36
MMP13 P45452 1/20 0.36
POLB P06746 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
PTPN7 P35236 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35

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
SCHEMBL4438222 0.71 BRD4 (0.39) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL718222 0.71 ALDH1A1 (0.41) CTSVCTSLKDM4EALDH1A1HPGD
SCHEMBL542790 0.70 NPC1 (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3172556 0.69 MDM2 (0.34) KDM4EMAPTNPC1RAB9A
SCHEMBL4309887 0.67 PARP1 (0.36) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL6992376 0.66 ESR1 (0.47) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL5492669 0.66 BCHE (0.40) KDM4EALDH1A1ALOX15HSD17B10TDP1
SCHEMBL3835052 0.66 CNR1 (0.33) ALDH1A1HSD17B10TUBB4ATUBBTUBA3C
SCHEMBL1879217 0.66 NR4A2 (0.47) CTSVCTSLKDM4EALDH1A1NPSR1
SCHEMBL14977497 0.66 HSD17B10 (0.40) KDM4EALDH1A1HPGDMMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107512-A Process for making optically active α-amino ketones and selected novel optically active α-amino ketones MONSANTO COMPANY (US) 2000-08-22 US claimed
CN-115516012-A Novel synthesis method and application of chitosan derivative 诺和席卓股份有限公司 2022-12-23 CN disclosed
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2010-12-16 US disclosed
US-7790710-B2 Imidazopyridine derivatives useful as iNOS inhibitors NYCOMED GMBH (DE) 2010-09-07 US disclosed
EP-1866306-B1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2009-06-17 EP disclosed
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
WO-2008117050-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRAZINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
EP-1866306-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS Nycomed GmbH (DE) 2007-12-19 EP disclosed
WO-2006103255-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2006-10-05 WO disclosed
US-4808503-A SENSITIVITY, DURABILITY MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-02-28 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 (2 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-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NOS2, NOS1, ARG1 CTSV 4587/4885CTSL 3339/4885KDM4E 2894/4885
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NOS2, NOS1, ARG1 CTSV 4587/4885CTSL 3339/4885KDM4E 2894/4885

“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.