SCHEMBL4098191

SCHEMBL4098191

Oc1ccc(Sc2cc[c]cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.70
CYP3A4 P08684 4/20 0.40
ALOX15 P16050 4/20 0.40
LMNA P02545 3/20 0.40
CA2 P00918 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CA3 P07451 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL1712836 0.84 NR1H2 (0.40) NR1H2CYP3A4LMNAHPGDTSHR
SCHEMBL10914949 0.84 NR1H2 (1.00) NR1H2CYP3A4ALOX15LMNACA2
SCHEMBL29726 0.84 NR1H2 (1.00) NR1H2CYP3A4ALOX15LMNACA2
SCHEMBL10890396 0.81 NR1H2 (0.93) NR1H2CYP3A4ALOX15LMNACA2
SCHEMBL28871678 0.81 NR1H2 (0.93) NR1H2CYP3A4ALOX15LMNACA2
SCHEMBL28246410 0.81 NR1H2 (0.93) NR1H2CYP3A4ALOX15LMNACA2
Ammonia Solution, Strong SCHEMBL28834648 0.81 NR1H2 (0.93) NR1H2CYP3A4ALOX15LMNACA2
SCHEMBL13837350 0.77 NR1H2 (0.38) NR1H2CYP3A4LMNAMEN1MAPT
SCHEMBL5023998 0.77 MAOA (0.54) NR1H2CYP3A4HSD17B10MAPTHPGD
Cyanate SCHEMBL9244238 0.77 NR1H2 (0.74) NR1H2CYP3A4ALOX15LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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 (3 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 NR1H2 422/4885CYP3A4 134/4885ALOX15 1574/4885
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 NR1H2 20/4885CYP3A4 454/4885ALOX15 1732/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 NR1H2 67/4885CYP3A4 115/4885ALOX15 651/4885

“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.