SCHEMBL9967735

SCHEMBL9967735

CC(C)c1cc(Cl)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB1 P18505 2/20 0.38
GPR139 Q6DWJ6 1/20 0.33
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GABRB2 P47870 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
FABP3 P05413 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
SCHEMBL29927907 1.00 GABRA1 (0.38) GABRA1GABRB1GPR139TSHRS1PR1
SCHEMBL16954173 0.82 GPR139 (0.32) GABRA1GABRB1GPR139
SCHEMBL31001196 0.82 ADRB2 (0.46) GABRA1GABRB1GPR139S1PR1S1PR3
SCHEMBL1001924 0.82 ADRB2 (0.46) GABRA1GABRB1GPR139S1PR1S1PR3
SCHEMBL2387700 0.82 GABRA1 (0.46) GABRA1GABRB1TSHRGABRB2NPC1
SCHEMBL1989339 0.82 GABRA1 (0.46) GABRA1GABRB1TSHRGABRB2NPC1
SCHEMBL422198 0.82 TSHR (0.50) GABRA1GABRB1TSHRCNR1CNR2
SCHEMBL11574451 0.82 GABRA1 (0.46) GABRA1GABRB1TSHRCNR1CNR2
Ammonia Solution, Strong SCHEMBL5676040 0.79 TSHR (0.47) GABRA1GABRB1TSHRCNR1CNR2
SCHEMBL20518501 0.78 GABRA1 (0.38) GABRA1GABRB1GPR139CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136476-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2023-07-20 WO disclosed
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
CN-114761383-A Sulfonamide derivatives and uses thereof 诺瑟拉有限公司 2022-07-15 CN disclosed
EP-3983388-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2022-04-20 EP disclosed
EP-3907228-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2021-11-10 EP disclosed
WO-2021107680-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 WO disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2014-12-18 US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
US-8722939-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2014-05-13 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
WO-2013049250-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2013-04-04 WO disclosed
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (8 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-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A GABRA1 4378/4885GABRB1 4405/4885GPR139 3956/4885
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GABRA1 3359/4885GABRB1 2279/4885GPR139 3912/4885
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 GABRA1 2195/4885GABRB1 2210/4885GPR139 1676/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD GABRA1 1953/4885GABRB1 2502/4885GPR139 3654/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GABRA1 3359/4885GABRB1 2279/4885GPR139 3912/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT GABRA1 720/4885GABRB1 297/4885GPR139 2161/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 GABRA1 2642/4885GABRB1 2846/4885GPR139 3160/4885
US-11685751-B2 Compound and organic light-emitting element comprising same CRY1, CRY2, LEF1 GABRA1 3659/4885GABRB1 4177/4885GPR139 4426/4885

“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.