SCHEMBL434023

SCHEMBL434023

Fc1ccc[c]c1-c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 3/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPL P40238 1/20 0.33
PKM P14618 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACHE P22303 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12816458 0.89 NOTUM (0.34) NOTUMALDH1A1IDO1KDM4ENPC1
SCHEMBL2012041 0.84 ACHE (0.46) NOTUMALDH1A1NPC1MEN1KMT2A
SCHEMBL16720271 0.84 MAPT (0.39) NOTUMALDH1A1KDM4ENPC1MEN1
SCHEMBL6304527 0.84 KCNN4 (0.34) NOTUMALDH1A1IDO1KDM4ENPC1
SCHEMBL8129046 0.84 ACHE (0.46) NOTUMALDH1A1IDO1NPC1MAPT
SCHEMBL6298885 0.84 ALDH1A1 (0.34) NOTUMALDH1A1IDO1KDM4ENPC1
SCHEMBL434625 0.84 KCNN4 (0.36) NOTUMIDO1MEN1KMT2A
SCHEMBL5780589 0.83 NOTUM (0.33) NOTUMALDH1A1IDO1KDM4ENPC1
SCHEMBL2437985 0.81 HSD11B1 (0.38) NOTUMALDH1A1L3MBTL1
SCHEMBL436100 0.79 NFE2L2 (0.36) ALDH1A1IDO1KDM4ENPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185953-A Method for preparing chiral hydroxylamine by catalytic hydrogenation of oxime with asymmetric nickel 上海交通大学 2023-12-08 CN claimed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 EP claimed
US-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 US claimed
US-5120347-A Pre and postemergence ROHM AND HAAS COMPANY (US) 1992-06-09 US claimed
CN-117185953-A Method for preparing chiral hydroxylamine by catalytic hydrogenation of oxime with asymmetric nickel 上海交通大学 2023-12-08 CN disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105753905-A Novel Compounds And Methods For Therapy 吉联亚科学股份有限公司 2016-07-13 CN disclosed
EP-2257534-B1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-11-06 EP disclosed
EP-2257533-B1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-09-18 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
US-6831081-B2 Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 PHARMACIA & UPJOHN 2004-12-14 US disclosed
US-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO 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-20040102511-A1 Substituted pyrrole derivatives HMGCR, PC, CYP46A1 NOTUM 307/4885ALDH1A1 991/4885IDO1 2068/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R NOTUM 1425/4885ALDH1A1 2040/4885IDO1 261/4885
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 NOTUM 4023/4885ALDH1A1 3830/4885IDO1 1964/4885

“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.