SCHEMBL3114686

SCHEMBL3114686

Cn1ncc(NC(=O)Oc2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAOB P27338 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
CYP1A2 P05177 3/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27661804 0.82 TRPV1 (0.41) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL17853274 0.78 CNR2 (0.34) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL21064489 0.77 NPC1 (0.45) ALDH1A1HSD17B10HTTNPC1RAB9A
SCHEMBL617561 0.77 TRPV1 (0.52) ALDH1A1MAPTTRPV1NPSR1KMT2A
SCHEMBL3105963 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL5497757 0.77 BRD9 (0.36) CYP1A2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10424370 0.72 NPC1 (0.57) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL24756637 0.72 F2 (0.48) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL15890215 0.71 ALDH1A1 (0.55) ALDH1A1MAPTGAAKDM4ENPSR1
SCHEMBL4330122 0.71 KMT2A (0.47) ALDH1A1MAPTGAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170949-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-21 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20160176897-A1 7-AMINOCEPHEM DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. 2016-06-23 US disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (6 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 ALDH1A1 1158/4885HSD17B10 207/4885MAPT 2537/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ALDH1A1 908/4885HSD17B10 145/4885MAPT 3238/4885
US-20180170949-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, MRPL21, CHLSN ALDH1A1 2750/4885HSD17B10 707/4885MAPT 3979/4885
US-20160176897-A1 7-AMINOCEPHEM DERIVATIVE COMPOUNDS AAAS, ALAD, NPEPPS ALDH1A1 2566/4885HSD17B10 1283/4885MAPT 4018/4885
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 ALDH1A1 1669/4885HSD17B10 3525/4885MAPT 1190/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S ALDH1A1 1854/4885HSD17B10 386/4885MAPT 3569/4885

“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.