SCHEMBL2301384

SCHEMBL2301384

O=C(Cl)c1ccccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP11B1 P15538 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.45
ALPL P05186 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 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
SCHEMBL29930602 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL6789666 0.85 ALDH1A1 (0.46) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL11212937 0.84 HTT (0.49) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL28288941 0.84 ALDH1A1 (0.42) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL975946 0.82 KDM4E (0.55) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL1286684 0.81 IRAK4 (0.53) ALDH1A1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL1655964 0.81 IRAK4 (0.68) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL2154267 0.81 IRAK4 (0.68) ALDH1A1ALOX15LMNAKDM4EKMT2A
SCHEMBL22987538 0.80 CTSD (0.62) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL29646356 0.80 CTSD (0.62) ALDH1A1HTTSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103304475-A Benzoic amide compound as well as preparation method and application thereof HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-09-18 CN claimed
JP-4742026-B2 2011-08-10 JP claimed
EP-1606261-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA Pharma AG (DE) 2005-12-21 EP claimed
WO-2004080967-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA PHARMA AG (DE) 2004-09-23 WO claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP claimed
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
CN-103232390-B Refining method for high-purity roflumilast CHENGDU HEXUN PHARMACEUTICAL CO LTD 2014-06-11 CN disclosed
CN-103304475-A Benzoic amide compound as well as preparation method and application thereof HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-09-18 CN disclosed
CN-103232390-A Refining method for high-purity roflumilast CHENGDU HEXUN PHARMACEUTICAL CO LTD 2013-08-07 CN disclosed
CN-1050599-C Preparation of 1,2-diacyl-2-(T-alkyl) hydrazines ROHM & HAAS (US) 2000-03-22 CN disclosed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP disclosed
CN-1109049-A Preparation of 1,2-diacyl-2-(T-alkyl) hydrazines ROHM & HAAS (US) 1995-09-27 CN disclosed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 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 (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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885ALOX15 3002/4885HTT 1708/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885ALOX15 3002/4885HTT 1708/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885ALOX15 3002/4885HTT 1708/4885

“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.