SCHEMBL5785262

SCHEMBL5785262

COc1cc(C(C)(C)CNC(=O)c2ccccc2)cc2c1OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5786561 0.90 MAPT (0.41) KMT2ANPC1RAB9ALMNA
SCHEMBL5785093 0.87 DRD2 (0.42) KMT2ANPC1RAB9ALMNA
SCHEMBL5786813 0.85 KMT2A (0.38) KMT2ANPC1RAB9ALMNA
SCHEMBL5782881 0.80 NPC1 (0.53) NPC1RAB9ALMNA
SCHEMBL5788170 0.75 NPC1 (0.44) KMT2ANPC1RAB9A
SCHEMBL5785128 0.74 HTR2A (0.40) KMT2ANPC1RAB9ALMNA
SCHEMBL5782858 0.73 HCRTR2 (0.47) KMT2ANPC1RAB9ALMNA
SCHEMBL5784863 0.72 KMT2A (0.40) KMT2ANPC1RAB9ALMNA
SCHEMBL5784461 0.71 LMNA (0.46) KMT2ALMNA
SCHEMBL5784457 0.71 LMNA (0.46) KMT2ALMNA

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 KMT2A 1140/4885NPC1 3538/4885RAB9A 742/4885

“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.