SCHEMBL349142

SCHEMBL349142

O=[C]Nc1cnc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.55
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 5/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
ALPL P05186 1/20 0.54
CYP1A2 P05177 1/20 0.53
LMNA P02545 4/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL8943054 0.77 KDM4E (0.50) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8943046 0.77 KDM4E (0.50) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL23055256 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11591505 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL28007469 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL128095 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL30824513 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11591503 0.77 NPSR1 (0.57) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL7033706 0.77 NPSR1 (0.62) KDRRAB9ANPC1SMN1; SMN2POLB
SCHEMBL28740171 0.76 KDR (0.54) KDRRAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
CN-102333520-B Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2013-11-06 CN disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
CN-1761680-A Metastin derivative and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-04-19 CN disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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 (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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A KDR 2053/4885RAB9A 232/4885NPC1 2544/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF KDR 110/4885RAB9A 687/4885NPC1 2592/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA KDR 3831/4885RAB9A 2872/4885NPC1 3790/4885

“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.