SCHEMBL544899

SCHEMBL544899

Cc1noc(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 1.00
TDO2 P48775 2/20 1.00
BRD2 P25440 1/20 0.66
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.48
MAPT P10636 1/20 0.46
MLYCD O95822 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKT2 P31751 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
CHEK1 O14757 1/20 0.41
NOTUM Q6P988 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL19367734 0.84 BRD4 (0.72) BRD4TDO2BRD2MLYCD
SCHEMBL17532580 0.81 BRD4 (0.68) BRD4TDO2BRD2PTGS1PTGS2
SCHEMBL17532582 0.81 BRD4 (0.68) BRD4TDO2BRD2MAPTKMT2A
SCHEMBL7423171 0.80 BRD4 (0.67) BRD4TDO2BRD2SMN1; SMN2NPC1
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.79 BRD4 (1.00) BRD4TDO2BRD2PTGS1PTGS2
SCHEMBL7857274 0.78 BRD4 (0.64) BRD4TDO2PTGS2MAPTMLYCD
SCHEMBL21105338 0.78 BRD4 (0.68) BRD4TDO2BRD2PTGS1PTGS2
SCHEMBL14072057 0.74 BRD4 (0.59) BRD4TDO2PTGS1MLYCDNPC1
SCHEMBL13981827 0.73 PTGS1 (0.69) BRD4TDO2BRD2PTGS1PTGS2
SCHEMBL9910781 0.73 BRD4 (0.61) BRD4TDO2BRD2PTGS1PTGS2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267668-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-09-21 US disclosed
US-20170267668-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-09-21 US disclosed
WO-2016026772-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-02-25 WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO disclosed
CN-1079468-A Sulfonamide endothelin antagonists SQUIBB & SONS INC (US) 1993-12-15 CN disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed
EP-0352581-A2 Ethylene diaminmonoamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-01-31 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN 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 (2 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-20170267668-A1 PHARMACEUTICAL COMPOUND TDO2, IDO1, IDO2 BRD4 2622/4885TDO2 1/4885BRD2 3683/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 BRD4 1053/4885TDO2 4611/4885BRD2 2053/4885

“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.