SCHEMBL5022962

SCHEMBL5022962

CCc1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 1/20 0.42
MGLL Q99685 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
RECQL P46063 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL1784458 0.84 TP53 (0.46) SIGMAR1TP53DDB1CRBNMAPT
SCHEMBL1786072 0.84 HTR2C (0.52) SIGMAR1TP53DDB1CRBNMAPT
SCHEMBL10061751 0.83 HTR2C (0.43) SIGMAR1MEN1KMT2AMAPTKIF11
SCHEMBL18419679 0.80 SIGMAR1 (0.39) SIGMAR1MEN1KMT2ATP53DDB1
SCHEMBL12251567 0.80 TP53 (0.42) SIGMAR1TP53DDB1CRBNMAPT
SCHEMBL4597601 0.80 MAPT (0.41) SIGMAR1MEN1KMT2ATP53MAPT
SCHEMBL7827695 0.80 MAPT (0.41) SIGMAR1MEN1KMT2ATP53MAPT
SCHEMBL21208433 0.80 MAPT (0.41) SIGMAR1MEN1KMT2ATP53MAPT
SCHEMBL7050263 0.80 MAPT (0.41) SIGMAR1MEN1KMT2ATP53MAPT
SCHEMBL7050271 0.80 PNMT (0.48) MAPTKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 US disclosed
EP-3772517-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND DIAGNOSTIC COMPOSITION INCLUDING SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-11-02 EP disclosed
WO-2022140472-A1 COMPOUNDS FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEOSOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
WO-2021191391-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
US-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-05-12 US disclosed
EP-3472161-B1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-5244912-A Serotonin antagonist ELI LILLY AND COMPANY (US) 1993-09-14 US disclosed
US-5244911-A Serotonin antagonist ELI LILLY AND COMPANY (US) 1993-09-14 US disclosed
US-5229410-A 6-substituted-hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1993-07-20 US disclosed
US-5229409-A Antidepressant, tranquilizer ELI LILLY AND COMPANY (US) 1993-07-20 US disclosed
EP-0506363-A1 6-Heterocyclic-4-amino-1,3,4,5-tetrahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
EP-0506369-A1 6-Heterocyclic-4-amino-1,2,2a,3,4,5-hexahydrobenz[CD]indoles ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
EP-0471569-A1 6-Substituted-hexahydrobenz (CD) indoles ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0471515-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0471576-A1 6-substituted-tetrahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0444854-A2 6-Substituted hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1991-09-04 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 (4 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-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE SIGMAR1 1153/4885MEN1 874/4885KMT2A 2395/4885
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP SIGMAR1 2319/4885MEN1 4259/4885KMT2A 2147/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SIGMAR1 1638/4885MEN1 244/4885KMT2A 2113/4885
US-10689378-B2 Triazolopyridine compounds and uses thereof EZH2, EED, BMI1 SIGMAR1 2831/4885MEN1 1452/4885KMT2A 17/4885

“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.