SCHEMBL3934767

SCHEMBL3934767

CCN(CC)Cc1ccc(N/C(=C2\C(=O)Nc3cc(C(=O)OC)ccc32)c2ccc3ncsc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NTRK1 P04629 5/20 0.42
NTRK2 Q16620 5/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3934775 1.00 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3942965 0.94 KMT2A (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3942971 0.94 KMT2A (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3934494 0.92 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3934501 0.92 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3941289 0.89 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3941281 0.89 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5857500 0.88 MAPT (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3933094 0.88 MAPT (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3944130 0.85 KMT2A (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 3709/4885KMT2A 1839/4885

“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.