SCHEMBL4825903

SCHEMBL4825903

Cc1cccc(C(O)c2ccc(NC(=O)C=Cc3cnn(C)c3-c3ccc(F)cc3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
GBA1 P04062 1/20 0.40
GRM5 P41594 2/20 0.40
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
EGFR P00533 1/20 0.38
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CDK19 Q9BWU1 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4825888 1.00 NPC1 (0.40) NPC1RAB9ATP53GBA1GRM5
SCHEMBL962923 0.87 CCNC (0.42) NPC1RAB9ATP53GRM5MMP1
SCHEMBL962925 0.87 CCNC (0.42) NPC1RAB9ATP53GRM5MMP1
SCHEMBL4834500 0.86 MMP1 (0.47) NPC1RAB9ATP53MMP1MMP2
SCHEMBL4834521 0.86 MMP1 (0.47) NPC1RAB9ATP53MMP1MMP2
SCHEMBL4833704 0.81 HDAC1 (0.46) NPC1RAB9ATP53GRM5MMP1
SCHEMBL4833713 0.81 HDAC1 (0.46) NPC1RAB9ATP53GRM5MMP1
SCHEMBL6429805 0.80 MMP1 (0.44) NPC1RAB9ATP53GRM5MMP1
SCHEMBL4834004 0.80 CCNC (0.41) NPC1RAB9ATP53GRM5MMP1
SCHEMBL4834017 0.80 CCNC (0.41) NPC1RAB9ATP53GRM5MMP1

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 NPC1 1170/4885RAB9A 4059/4885TP53 4623/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885RAB9A 4059/4885TP53 4623/4885

“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.