SCHEMBL5859771

SCHEMBL5859771

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3ncccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
ALOX15 P16050 1/20 0.37
P2RX3 P56373 3/20 0.37
LSS P48449 1/20 0.37
POLB P06746 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
F11 P03951 1/20 0.36
PLK1 P53350 2/20 0.35
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3944786 1.00 NPC1 (0.40) NPC1RAB9AHTTF10KLKB1
SCHEMBL3938405 0.93 F10 (0.38) NPC1RAB9AHTTF10KLKB1
SCHEMBL5857073 0.93 F10 (0.38) NPC1RAB9AHTTF10KLKB1
SCHEMBL3944829 0.92 F10 (0.40) NPC1RAB9AHTTF10ALOX15
SCHEMBL5858272 0.92 F10 (0.40) NPC1RAB9AHTTF10ALOX15
SCHEMBL3943456 0.88 NPC1 (0.40) NPC1RAB9AHTTALOX15P2RX3
SCHEMBL5857122 0.88 NPC1 (0.40) NPC1RAB9AHTTALOX15P2RX3
SCHEMBL3944120 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15P2RX3
SCHEMBL5858115 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15P2RX3
SCHEMBL3933106 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.