SCHEMBL20132302

SCHEMBL20132302

N#Cc1ccc(Sc2ccc(Br)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 1.00
MAOA P21397 11/20 1.00
MCL1 Q07820 1/20 0.49
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL3394075 0.88 MAOB (0.81) MAOBMAOAALDH1A1CYP2A6CA12
SCHEMBL154636 0.85
Water SCHEMBL27994834 0.85 MAOB (0.73) MAOBMAOAIDO1ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL30722972 0.83 MAOB (0.70) MAOBMAOAIDO1ALDH1A1CYP2A6
SCHEMBL6827721 0.83 MAOB (0.70) MAOBMAOAIDO1ALDH1A1CYP2A6
SCHEMBL14656590 0.83 MAOB (0.70) MAOBMAOAIDO1ALDH1A1CYP2A6
SCHEMBL30015349 0.81 MAOB (0.67) MAOBMAOAMCL1TSHRDHFR
SCHEMBL29134830 0.81 MAOB (0.67) MAOBMAOAMCL1TSHRDHFR
SCHEMBL4123832 0.80 MAOA (0.64) MAOBMAOAMCL1ALDH1A1CYP2A6
SCHEMBL3411276 0.80 MAOA (0.64) MAOBMAOAMCL1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
CN-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 CN disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 US disclosed
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof ABBVIE INC. (US) 2020-06-02 US disclosed
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2019-08-29 US disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 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 (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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R MAOB 4732/4885MAOA 4427/4885MCL1 2287/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R MAOB 4732/4885MAOA 4427/4885MCL1 2287/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R MAOB 4732/4885MAOA 4427/4885MCL1 2287/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R MAOB 4732/4885MAOA 4427/4885MCL1 2287/4885

“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.