SCHEMBL13993252

SCHEMBL13993252

Cc1c(C(C)C)cc(Br)cc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRB1 P18505 3/20 0.61
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 3/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
GABRB2 P47870 2/20 0.32
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL20991798 0.80 GABRA1 (0.47) GABRA1GABRB1
SCHEMBL25834787 0.80 GABRA1 (0.47) GABRA1GABRB1POLBGAAGFER
SCHEMBL20681258 0.80 GABRA1 (0.64) GABRA1GABRB1CA1CA2LMNA
SCHEMBL6765852 0.79 GABRA1 (0.45) GABRA1GABRB1LMNA
SCHEMBL22899728 0.78 GABRA1 (0.61) GABRA1GABRB1CA1CA2LMNA
SCHEMBL20636510 0.77 LMNA (0.42) GABRA1GABRB1CA1CA2LMNA
SCHEMBL3640323 0.76 GABRA1 (1.00) GABRA1GABRB1CA1CA2LMNA
SCHEMBL22774086 0.76 GABRA1 (0.58) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL839941 0.76 GABRA1 (0.58) GABRA1GABRB1CA1CA2LMNA
SCHEMBL636376 0.76 GABRA1 (0.58) GABRA1GABRB1CA1CA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021009566-A1 N-((1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-4-YL)CARBAMOYL)-4,5,6,7-TETRAHYDROBENZOFURAN -2-SULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NLPR3 MODULATORS FOR THE TREATMENT OF MULTIPLE SCLEROSIS (MS) ZOMAGEN BIOSCIENCES LTD (US) 2021-01-21 WO disclosed
WO-2019079119-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-04-25 WO disclosed
EP-3137574-B1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2018-04-04 EP disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 US disclosed
US-9281483-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-03-08 US disclosed
US-9281483-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-03-08 US disclosed
US-20150287935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-08 US disclosed
US-20150287935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-08 US disclosed
US-8889864-B2 Metal complexes of cyclometallated imidazo[1,2-f]phenanthridine and diimidazo[1,2-a:1′,2′-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION (US) 2014-11-18 US disclosed
US-8889864-B2 Metal complexes of cyclometallated imidazo[1,2-f]phenanthridine and diimidazo[1,2-a:1′,2′-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION (US) 2014-11-18 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 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 (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-20150287935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIG1, L1CAM, LIG3 GABRA1 498/4885GABRB1 1283/4885CA1 4086/4885
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C GABRA1 432/4885GABRB1 1628/4885CA1 3204/4885

“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.