SCHEMBL4882425

SCHEMBL4882425

CC(=O)n1nc(C(=O)Nc2c(C)cccc2C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.50
NPY5R Q15761 4/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 1/20 0.42
RORC P51449 1/20 0.40
ACR P10323 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
SCHEMBL9134106 0.92 CHRNA7 (0.47) RIPK1NPY5RS1PR4
SCHEMBL9133124 0.82 BAZ2B (0.59) RIPK1NPY5RMAPTSMN1; SMN2POLB
SCHEMBL9133647 0.76 AURKA (0.57) RIPK1MAPTSMN1; SMN2AURKARPS6KB1
SCHEMBL9133303 0.75 BAZ2B (0.54) NPC1RAB9AS1PR4
SCHEMBL9133111 0.74 MAPT (0.41) RIPK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14825173 0.73 POLB (0.56) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL9134544 0.72 KMT2A (0.49) RIPK1MAPTSMN1; SMN2POLBNPC1
SCHEMBL26849762 0.72 RAB9A (0.56) RIPK1MAPTSMN1; SMN2POLBNPC1
SCHEMBL9134113 0.71 ENPP3 (0.39) NPY5RMAPTPOLBNPC1RAB9A
SCHEMBL9510816 0.70 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2008-04-17 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 (1 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-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 RIPK1 1378/4885NPY5R 189/4885MAPT 4499/4885

“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.