SCHEMBL5859332

SCHEMBL5859332

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
LSS P48449 1/20 0.37
P2RX3 P56373 5/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
F10 P00742 1/20 0.35
KLKB1 P03952 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
IDH1 O75874 1/20 0.34
MAOB P27338 1/20 0.34
ATM Q13315 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
MAPK14 Q16539 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
SCHEMBL3932231 1.00 BRD4 (0.40) BRD4LSSP2RX3RAB9ANPC1
SCHEMBL5859741 0.93 LSS (0.37) BRD4LSSP2RX3F10KLKB1
SCHEMBL3937825 0.93 LSS (0.37) BRD4LSSP2RX3F10KLKB1
SCHEMBL3934504 0.91 MAOB (0.44) LSSRAB9ANPC1MAPK1HTT
SCHEMBL3934502 0.91 MAOB (0.44) LSSRAB9ANPC1MAPK1HTT
SCHEMBL3944797 0.90 BRD4 (0.40) BRD4RAB9ANPC1POLBMAPT
SCHEMBL5859976 0.90 BRD4 (0.40) BRD4RAB9ANPC1POLBMAPT
SCHEMBL3943335 0.89 BRD4 (0.40) BRD4P2RX3RAB9ANPC1POLB
SCHEMBL3943341 0.89 BRD4 (0.40) BRD4P2RX3RAB9ANPC1POLB
SCHEMBL3932879 0.88 BRD4 (0.39) BRD4RAB9ANPC1POLBPKM

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 BRD4 885/4885LSS 2636/4885P2RX3 1198/4885

“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.