SCHEMBL3105963

SCHEMBL3105963

Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
LPAR1 Q92633 1/20 0.38
CYP1A2 P05177 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
THRB P10828 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3119092 0.85 LPAR1 (0.38) ALDH1A1KDM4EHPGDLPAR1RAB9A
SCHEMBL28760706 0.84 ALDH1A1 (0.36) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL6065837 0.84 LPAR1 (0.37) ALDH1A1MAPTGAAKDM4ELPAR1
SCHEMBL6425412 0.84 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDLPAR1
SCHEMBL6065834 0.83 LPAR1 (0.36) LPAR1CYP1A2KMT2AMEN1HTT
SCHEMBL6425423 0.81 HPGD (0.40) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL5500962 0.81 ADRA2C (0.39) GAALPAR1CYP1A2
SCHEMBL3111828 0.81 NTRK1 (0.36) GAALPAR1RAB9AKMT2ALMNA
SCHEMBL6425375 0.80 LPAR1 (0.36) ALDH1A1GAAATMLPAR1CYP1A2
SCHEMBL27620822 0.79 LPAR1 (0.32) LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN 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
CN-1852715-A Cephem compounds ASTELLAS PHARMA INC (JP) 2006-10-25 CN disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 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
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (5 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-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.