SCHEMBL4086012

SCHEMBL4086012

Nc1cccc2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
CYP3A4 P08684 3/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KEAP1 Q14145 1/20 0.54
PLG P00747 2/20 0.53
PLAU P00749 2/20 0.53
PLAT P00750 2/20 0.53
F2 P00734 1/20 0.53
KLK1 P06870 1/20 0.53
PRSS1 P07477 1/20 0.53
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
TDP2 O95551 1/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL31180930 1.00 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL29121938 0.98 ALDH1A1 (0.52) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL4074869 0.83 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL29405526 0.77 CTDSP1 (0.63) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL29498396 0.77 CTDSP1 (0.63) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL729842 0.77 CTDSP1 (0.63) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL6562541 0.77 CYP2A6 (0.52) ALDH1A1HPGDTSHRHSD17B10PLG
SCHEMBL30366448 0.77 CYP2A6 (0.52) ALDH1A1HPGDTSHRHSD17B10PLG
SCHEMBL29351158 0.76 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5545202 0.76 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240174650-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF LONGIVITRON (SUZHOU) BIOTECHNOLOGY CO., LTD (CN) 2024-05-30 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 US disclosed
CN-1653062-A (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
US-5132421-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0466254-A1 2-naphthyl-carbapenems MERCK & CO. INC. (US) 1992-01-15 EP disclosed
US-5032587-A Antibiotics, carbapenicillins MERCK & CO., INC. (US) 1991-07-16 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885HPGD 2198/4885CYP3A4 195/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ALDH1A1 3259/4885HPGD 2198/4885CYP3A4 195/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885HPGD 2198/4885CYP3A4 195/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 ALDH1A1 1532/4885HPGD 785/4885CYP3A4 630/4885
US-20240174650-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SIRT2, SIRT1, SIRT7 ALDH1A1 1100/4885HPGD 560/4885CYP3A4 1635/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ALDH1A1 3259/4885HPGD 2198/4885CYP3A4 195/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885HPGD 2198/4885CYP3A4 195/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C ALDH1A1 1634/4885HPGD 1683/4885CYP3A4 1886/4885

“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.