SCHEMBL4093539

SCHEMBL4093539

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OC=CO3)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PLK1 P53350 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HTT P42858 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL5857103 1.00 NPC1 (0.32) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3936621 0.91 BACE1 (0.33) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL5857821 0.91 BACE1 (0.33) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3937043 0.90 NPC1 (0.41) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3942249 0.90 POLB (0.40) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3942243 0.90 POLB (0.40) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3937048 0.90 NPC1 (0.41) NPC1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL3936512 0.88 LIMK1 (0.34) NPC1POLBMEN1KMT2APLK1
SCHEMBL5857934 0.88 LIMK1 (0.34) NPC1POLBMEN1KMT2APLK1
SCHEMBL5858182 0.87 BRD4 (0.35) NPC1POLBRAB9ASMN1; SMN2MEN1

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 4723/4885POLB 1516/4885RAB9A 3709/4885

“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.