SCHEMBL4834487

SCHEMBL4834487

Cn1ncc(C=CC(=O)Nc2ccc(CSc3ccccc3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
CCNC P24863 7/20 0.43
CDK8 P49336 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CDK19 Q9BWU1 2/20 0.42
CXCR2 P25025 1/20 0.41
PDE6D O43924 2/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPSE Q9Y251 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4834470 1.00 EGFR (0.44) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4831386 0.88 EGFR (0.48) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4831378 0.88 EGFR (0.48) EGFRMMP1MMP2MMP9CCNC
SCHEMBL4836847 0.88 CCNC (0.45) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4836835 0.88 CCNC (0.45) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4836602 0.86 CCNC (0.43) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4836600 0.86 CCNC (0.43) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4831270 0.85 CCNC (0.43) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4831260 0.85 CCNC (0.43) EGFRMMP1MMP2MMP9LMNA
SCHEMBL4825923 0.85 ALDH1A1 (0.53) LMNAMAPTCCNCCDK8KMT2A

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 5 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 disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 EGFR 802/4885MMP1 4721/4885MMP2 4741/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 EGFR 802/4885MMP1 4721/4885MMP2 4741/4885

“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.