SCHEMBL1111577

SCHEMBL1111577

O=C(O)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CHEK1 O14757 1/20 0.45
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
RAB9A P51151 5/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
MAP2K4 P45985 1/20 0.44
TTR P02766 1/20 0.43
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LDHA P00338 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
SRD5A2 P31213 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL17303477 0.86 RXFP1 (0.44) KDM4EALDH1A1RAB9APOLBHTT
SCHEMBL3225115 0.84 MEN1 (0.50) ALDH1A1RAB9APOLBGAANPC1
SCHEMBL4789775 0.83 ALDH1A1 (0.36) KDM4EALDH1A1CHEK1RAB9APOLB
SCHEMBL10242672 0.83 XDH (0.49) TP53RAB9AGAASMN1; SMN2
SCHEMBL31518805 0.83 DHODH (0.40) KDM4EALDH1A1TP53MAP2K4HSD17B10
Hydrochloric Acid SCHEMBL31747485 0.81 MAPK1 (0.47) ALDH1A1MAP2K4MKNK1MKNK2
SCHEMBL16766999 0.81 LMNA (0.36) RAB9APOLBNPC1SMN1; SMN2
SCHEMBL939810 0.80 KMO (0.55) KDM4EALDH1A1RAB9AGAAMAP2K4
SCHEMBL29364240 0.80 KMO (0.55) KDM4EALDH1A1RAB9AGAAMAP2K4
Benzophenone SCHEMBL17224646 0.78 ALDH1A1 (0.50) ALDH1A1TP53RAB9AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773288-B Heterocyclic dehydroabietyl formamide compound and preparation method and application thereof 南京林业大学 2023-09-29 CN disclosed
CN-113773288-A Heterocyclic ring-containing dehydroabietyl formamide compounds and preparation method and application thereof 南京林业大学 2021-12-10 CN disclosed
EP-2925322-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
EP-2743256-B1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-06-27 EP disclosed
US-9777002-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-9682925-B2 Cyclopropaneamine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-20 US disclosed
CN-103842332-B Cyclopropylamine compound 武田药品工业株式会社 2016-08-17 CN disclosed
US-20160130215-A1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-9278931-B2 Cyclopropaneamine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-08 US disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 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-20160130215-A1 CYCLOPROPANEAMINE COMPOUND KDM1A, KDM1B, KDM3A KDM4E 17/4885ALDH1A1 550/4885TP53 2491/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 KDM4E 3779/4885ALDH1A1 1448/4885TP53 58/4885
US-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 KDM4E 2203/4885ALDH1A1 416/4885TP53 1958/4885

“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.