SCHEMBL4825836

SCHEMBL4825836

COC(c1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
GRM5 P41594 1/20 0.37
EGFR P00533 1/20 0.37
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
CDK19 Q9BWU1 1/20 0.37
GGPS1 O95749 1/20 0.37
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL4825813 1.00 RAB9A (0.40) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4833471 0.89 LMNA (0.38) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4833465 0.89 LMNA (0.38) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4834017 0.88 CCNC (0.41) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4834004 0.88 CCNC (0.41) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4836487 0.84 MMP1 (0.42) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4836505 0.84 MMP1 (0.42) RAB9ANPC1LMNASMN1; SMN2HTR2A
SCHEMBL4831155 0.83 CCNC (0.44) RAB9ANPC1LMNASMN1; SMN2MMP1
SCHEMBL4831171 0.83 CCNC (0.44) RAB9ANPC1LMNASMN1; SMN2MMP1
SCHEMBL4834355 0.83 CCNC (0.44) RAB9ANPC1LMNASMN1; SMN2MMP1

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 RAB9A 4059/4885NPC1 1170/4885LMNA 2405/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885NPC1 1170/4885LMNA 2405/4885

“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.