SCHEMBL962925

SCHEMBL962925

Cn1ncc(C=CC(=O)Nc2ccc(C(O)c3ccccn3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.42
CDK8 P49336 4/20 0.42
MMP1 P03956 3/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
EGFR P00533 2/20 0.40
DHODH Q02127 1/20 0.39
CDK19 Q9BWU1 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GRM5 P41594 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL962923 1.00 CCNC (0.42) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4834521 0.89 MMP1 (0.47) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4834500 0.89 MMP1 (0.47) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4825888 0.87 NPC1 (0.40) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4825903 0.87 NPC1 (0.40) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4833485 0.81 CCNC (0.43) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4833494 0.81 CCNC (0.43) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4834004 0.81 CCNC (0.41) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4834017 0.81 CCNC (0.41) CCNCCDK8MMP1MMP2MMP9
SCHEMBL4833713 0.80 HDAC1 (0.46) CCNCCDK8MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US claimed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US claimed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CCNC 2763/4885CDK8 2641/4885MMP1 2580/4885
US-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 CCNC 3143/4885CDK8 2999/4885MMP1 4200/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CCNC 3591/4885CDK8 2477/4885MMP1 4063/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885MMP1 4721/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885MMP1 4721/4885

“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.