SCHEMBL3934811

SCHEMBL3934811

CC(=O)N(CCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3ncccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.36
LIMK1 P53667 1/20 0.36
POLB P06746 2/20 0.35
PLK1 P53350 3/20 0.34
F11 P03951 1/20 0.34
MAPT P10636 2/20 0.33
P2RX3 P56373 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PABPC1 P11940 1/20 0.33
CSF1R P07333 1/20 0.33
DYRK3 O43781 1/20 0.33

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
SCHEMBL5858293 1.00 NPC1 (0.39) NPC1RAB9AHTTALOX15LIMK1
SCHEMBL3944370 0.96 HTT (0.38) NPC1RAB9AHTTALOX15POLB
SCHEMBL5859511 0.96 HTT (0.38) NPC1RAB9AHTTALOX15POLB
SCHEMBL3931789 0.95 GPR55 (0.35) NPC1RAB9AHTTLIMK1PLK1
SCHEMBL5858305 0.95 GPR55 (0.35) NPC1RAB9AHTTLIMK1PLK1
SCHEMBL5858545 0.91 PLK1 (0.36) NPC1RAB9AHTTLIMK1PLK1
SCHEMBL3932538 0.91 PLK1 (0.36) NPC1RAB9AHTTLIMK1PLK1
SCHEMBL3944120 0.89 NPC1 (0.40) NPC1RAB9AHTTALOX15POLB
SCHEMBL5856626 0.89 NPC1 (0.40) NPC1RAB9AHTTALOX15POLB
SCHEMBL3933521 0.88 RAB9A (0.39) NPC1RAB9AHTTALOX15POLB

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 NPC1 4723/4885RAB9A 3709/4885HTT 4263/4885

“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.