SCHEMBL4836725

SCHEMBL4836725

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.56
MMP2 P08253 8/20 0.56
MMP9 P14780 8/20 0.56
MAOA P21397 2/20 0.46
SNCA P37840 3/20 0.45
EGFR P00533 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
DEGS1 O15121 1/20 0.43
LMNA P02545 1/20 0.43
CDK19 Q9BWU1 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4836729 1.00 MMP1 (0.56) MMP1MMP2MMP9MAOASNCA
SCHEMBL4833823 0.91 MMP1 (0.45) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4833704 0.91 HDAC1 (0.46) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4833836 0.91 MMP1 (0.45) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4833713 0.91 HDAC1 (0.46) MMP1MMP2MMP9EGFRNPC1
SCHEMBL6429805 0.90 MMP1 (0.44) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4834611 0.89 RAB9A (0.47) MMP1MMP2MMP9SNCAEGFR
SCHEMBL4827107 0.89 ATM (0.48) MMP1MMP2MMP9SNCAEGFR
SCHEMBL4827102 0.89 ATM (0.48) MMP1MMP2MMP9SNCAEGFR
SCHEMBL4834597 0.89 RAB9A (0.47) MMP1MMP2MMP9SNCAEGFR

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 MMP1 4721/4885MMP2 4741/4885MMP9 4673/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MMP1 4721/4885MMP2 4741/4885MMP9 4673/4885

“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.