SCHEMBL4834544

SCHEMBL4834544

CSc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
MMP1 P03956 4/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
EGFR P00533 1/20 0.43
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
CDK19 Q9BWU1 1/20 0.41
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4834554 1.00 LMNA (0.46) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4833415 0.90 MMP1 (0.44) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6432056 0.90 MMP1 (0.44) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4836725 0.88 MMP1 (0.56) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4833704 0.88 HDAC1 (0.46) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4833836 0.88 MMP1 (0.45) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4833713 0.88 HDAC1 (0.46) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4836729 0.88 MMP1 (0.56) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4833823 0.88 MMP1 (0.45) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6429805 0.87 MMP1 (0.44) LMNANPC1RAB9ASMN1; SMN2KDM4E

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 LMNA 2405/4885ALDH1A1 2652/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LMNA 2405/4885ALDH1A1 2652/4885NPC1 1170/4885

“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.