SCHEMBL14235355

SCHEMBL14235355

CC(C)Nc1cc(C(=O)Nc2ccc(C(C)C)cc2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ TP53 P04637 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HCAR3 P49019 2/20 0.44
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42

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
SCHEMBL14235829 0.88 NPC1 (0.49) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL12643803 0.88 MEN1 (0.52) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL14236036 0.86 ADORA3 (0.50) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL14235607 0.85 ACR (0.53) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL20764105 0.77 ACR (0.63) MAPT
SCHEMBL14235361 0.77 MAPT (0.58) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL28256896 0.75 MEN1 (0.54) NPC1RAB9ATP53POLBHPGD
SCHEMBL14213420 0.75 HCAR3 (0.50) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL14213418 0.75 HCAR3 (0.50) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL14236017 0.73 HCAR3 (0.41) NPC1RAB9APOLBHCAR3

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 — — 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 SMN1; SMN2 4117/4885NPC1 2683/4885RAB9A 1699/4885

“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.

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