SCHEMBL2017201

SCHEMBL2017201

[CH2]c1ccc(/N=N/c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS3 P29474 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL40356 1.00 PTGS2 (0.53) PTGS2CA12CA1CA2CA7
SCHEMBL1405603 0.88 CA1 (0.65) PTGS2CA12CA1CA2CA7
SCHEMBL1405602 0.88 CA1 (0.65) PTGS2CA12CA1CA2CA7
SCHEMBL3223 0.85
SCHEMBL10598384 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27088448 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL20913241 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28139275 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28768515 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL21242229 0.81 KMT2A (0.57) PTGS2CA12CA1CA2CA7

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
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP disclosed
US-8318716-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-11-27 US disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 US disclosed
US-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES XUANZHU (HAINAN) BIOPHARMACEUTICAL CO., LTD. (CN) 2011-06-30 US disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 US disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7012083-B2 Compounds useful in therapy PFIZER INC. (US) 2006-03-14 US disclosed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 US disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
US-20020099214-A1 Compounds useful in therapy PFIZER INC. (US) 2002-07-25 US disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
US-3956219-A DIVINYLBENZENE ELI LILLY AND COMPANY (US) 1976-05-11 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 (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-20020099214-A1 Compounds useful in therapy HRH2, ITCH, HRH4 PTGS2 268/4885CA12 1665/4885CA1 2269/4885
US-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES MGAM, RPIA, MGAM2 PTGS2 3769/4885CA12 1567/4885CA1 4515/4885
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES SI, MGAM, IDE PTGS2 3695/4885CA12 1628/4885CA1 3255/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV PTGS2 2448/4885CA12 1780/4885CA1 890/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 PTGS2 2077/4885CA12 4644/4885CA1 4359/4885

“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.