SCHEMBL18050231

SCHEMBL18050231

O=C(O)c1sc2cc(Br)ccc2c1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.71
BCKDK O14874 2/20 0.71
RXFP1 Q9HBX9 2/20 0.71
BCL2L1 Q07817 1/20 0.67
RPA1 P27694 7/20 0.53
TBXAS1 P24557 1/20 0.49
MAPK1 P28482 2/20 0.47
PRNP P04156 1/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA2 Q15596 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GPR35 Q9HC97 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43

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
Hydrochloric Acid SCHEMBL10855356 0.98 MCL1 (0.69) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL30671951 0.87 MCL1 (0.53) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL6840191 0.87 MCL1 (0.53) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL20563613 0.87 MCL1 (0.60) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL6886010 0.83 MCL1 (1.00) MCL1BCKDKRXFP1BCL2L1RPA1
Hydrochloric Acid SCHEMBL11394582 0.81 MCL1 (0.97) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL417349 0.80 MCL1 (1.00) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL16693177 0.80 BCKDK (0.50) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL2895958 0.80 GPR35 (0.58) MCL1BCKDKRXFP1BCL2L1RPA1
SCHEMBL594468 0.80 BCKDK (1.00) MCL1BCKDKRXFP1BCL2L1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-03 US disclosed
EP-3317275-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
EP-3268361-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-11-20 US disclosed
EP-3365061-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-08-29 EP disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 US disclosed
EP-3268361-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-01-17 EP disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
WO-2017001311-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 WO disclosed
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 WO 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 (5 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 MCL1 4862/4885BCKDK 3528/4885RXFP1 285/4885
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE MCL1 2587/4885BCKDK 3765/4885RXFP1 4231/4885
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE MCL1 2587/4885BCKDK 3765/4885RXFP1 4231/4885
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE MCL1 2956/4885BCKDK 3779/4885RXFP1 4249/4885
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE MCL1 2956/4885BCKDK 3779/4885RXFP1 4249/4885

“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.