SCHEMBL4825923

SCHEMBL4825923

Cn1nnnc1SCc1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
CDK19 Q9BWU1 1/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
MAPK10 P53779 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL4825911 1.00 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL4836835 0.85 CCNC (0.45) RAB9ANPC1SMN1; SMN2LMNACCNC
SCHEMBL4836847 0.85 CCNC (0.45) RAB9ANPC1SMN1; SMN2LMNACCNC
SCHEMBL4834487 0.85 EGFR (0.44) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL4834014 0.85 CCNC (0.44) RAB9ANPC1SMN1; SMN2LMNACCNC
SCHEMBL4834470 0.85 EGFR (0.44) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL4834026 0.85 CCNC (0.44) RAB9ANPC1SMN1; SMN2LMNACCNC
SCHEMBL4836602 0.84 CCNC (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4836600 0.84 CCNC (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4831195 0.83 CCNC (0.41) RAB9ANPC1SMN1; SMN2LMNACCNC

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 ALDH1A1 2652/4885RAB9A 4059/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885RAB9A 4059/4885NPC1 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.