SCHEMBL4750607

SCHEMBL4750607

Oc1cccc(-c2csnn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B1 P14061 10/20 0.53
HSD17B2 P37059 9/20 0.53
POLB P06746 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.46
METAP2 P50579 1/20 0.46
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45

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
SCHEMBL28615179 0.78 RAB9A (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL8346377 0.78 KMT2A (0.61) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL28571840 0.78 KMT2A (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL16636188 0.78 KMT2A (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL5547686 0.78 RAB9A (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL29683694 0.78 KMT2A (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL1673852 0.76 KMT2A (0.64) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL28763345 0.76 NPC1 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL69349 0.76 KMT2A (0.91) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL5187763 0.74 RAB9A (0.51) KMT2ARAB9AMEN1NPC1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136431-A PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO 2014-11-05 CN disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed
WO-1994025501-A1 EPOXY RESINS CONTAINING THIADIAZOLE AND/OR OXADIAZOLE MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 KMT2A 3613/4885RAB9A 1529/4885MEN1 4554/4885

“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.