SCHEMBL3976622

SCHEMBL3976622

Brc1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 1.00
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
F2 P00734 3/20 0.55
PPARG P37231 1/20 0.54
IDO1 P14902 3/20 0.52
FFAR1 O14842 1/20 0.51
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL14269503 0.85 CYP19A1 (0.74) CYP19A1NPC1RAB9AKDM4EMEN1
Trifluoromethanesulfonic Acid SCHEMBL27954027 0.84 CYP19A1 (0.71) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL17422783 0.84 CYP19A1 (0.71) CYP19A1IDO1FFAR1ESR1
SCHEMBL17422937 0.83 CYP19A1 (0.71) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL10173132 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL21812464 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL26670118 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL30751168 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL6585488 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL2243728 0.82 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201526-B Difunctional photo-enzyme synergistic catalyst and preparation method and application thereof 东南大学 2024-04-09 CN claimed
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 CN claimed
CN-113201526-A Bifunctional photo-enzyme synergistic catalyst and preparation method and application thereof 东南大学 2021-08-03 CN claimed
WO-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 WO disclosed
CN-119977949-A Chromone bisindole derivative and preparation method and application thereof 重庆文理学院 2025-05-13 CN disclosed
CN-113196511-B Organic electroluminescent device and spiro compound for organic electroluminescent device 三星显示有限公司 2025-01-14 CN disclosed
US-20240431203-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND SPIRO COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-12-26 US disclosed
US-12108667-B2 Organic electroluminescence device and spiro compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-10-01 US disclosed
CN-113201526-B Difunctional photo-enzyme synergistic catalyst and preparation method and application thereof 东南大学 2024-04-09 CN disclosed
CN-115304533-A Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2022-11-08 CN disclosed
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed
WO-2013009126-A2 COMPOUND FOR AN ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 덕산하이메탈(주) (KR) 2013-01-17 WO disclosed
WO-2013009126-A2 COMPOUND FOR AN ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 덕산하이메탈(주) (KR) 2013-01-17 WO disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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 (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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 CYP19A1 3073/4885NPC1 1944/4885RAB9A 4031/4885
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 CYP19A1 1214/4885NPC1 1234/4885RAB9A 2053/4885

“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.