SCHEMBL4825691

SCHEMBL4825691

Cn1cc(-c2ccc(F)cc2)c(/C=C/C(=O)Nc2ccc(CP(=O)(O)O)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CCNC P24863 5/20 0.40
CDK8 P49336 5/20 0.40
CDK19 Q9BWU1 2/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
EGFR P00533 1/20 0.39
HPSE Q9Y251 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4825702 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2GAACYP2C9CCNC
SCHEMBL4831387 0.88 BTK (0.39) ALDH1A1CYP1A2GAACYP2C9CCNC
SCHEMBL4831194 0.85 HDAC1 (0.48) ALDH1A1CYP1A2CYP2C9CCNCCDK8
SCHEMBL4831182 0.85 HDAC1 (0.48) ALDH1A1CYP1A2CYP2C9CCNCCDK8
SCHEMBL4831381 0.83 MAOB (0.41) ALDH1A1CYP1A2GAACYP2C9CCNC
SCHEMBL4831397 0.83 MAOB (0.41) ALDH1A1CYP1A2GAACYP2C9CCNC
SCHEMBL4836586 0.81 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4836584 0.81 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831171 0.80 CCNC (0.44) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4834355 0.80 CCNC (0.44) CCNCCDK8CDK19MMP1MMP2

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 3 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

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 ALDH1A1 2652/4885CYP1A2 231/4885GAA 4645/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885CYP1A2 231/4885GAA 4645/4885

“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.