SCHEMBL5783602

SCHEMBL5783602

COc1cc(CC(C)(C)NC(=O)Nc2ccccc2)cc2c1OC(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL5785150 0.91 IDO1 (0.41) IDO1POLBNPC1RAB9AKMT2A
SCHEMBL5782999 0.78 KMT2A (0.41) NPC1RAB9AKMT2ALMNA
SCHEMBL5784632 0.78 KMT2A (0.36) NPC1RAB9AKMT2ALMNA
SCHEMBL5785346 0.75 KMT2A (0.40) NPC1KMT2ALMNA
SCHEMBL5783751 0.74 HTR2A (0.40) NPC1RAB9AKMT2ALMNA
SCHEMBL5782881 0.72 NPC1 (0.53) POLBNPC1RAB9ALMNA
SCHEMBL5788170 0.71 NPC1 (0.44) NPC1RAB9AKMT2A
SCHEMBL5786290 0.70 KMT2A (0.42) NPC1RAB9AKMT2ALMNA
Bromide SCHEMBL5784209 0.69 NPC1 (0.39) NPC1RAB9AKMT2ALMNA
SCHEMBL5785262 0.69 KMT2A (0.42) NPC1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A IDO1 410/4885POLB 1153/4885NPC1 3538/4885

“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.