SCHEMBL4074869

SCHEMBL4074869

Nc1cccc2cc(Br)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 2/20 0.54
KEAP1 Q14145 1/20 0.54
CYP2A6 P11509 1/20 0.48
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL4086012 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL31180930 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL29121938 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL29498391 0.77 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL29404930 0.77 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL731002 0.77 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL24808798 0.77 KDM4E (0.48) ALDH1A1CYP2A6KMT2AKDM4EMEN1
SCHEMBL30366175 0.77 CYP2A6 (0.52) ALDH1A1CYP2A6KMT2AKDM4EMEN1
SCHEMBL30457989 0.77 CYP2A6 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP2A6
SCHEMBL29656897 0.77 CYP2A6 (0.52) ALDH1A1CYP2A6KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368640-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-12-04 US disclosed
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
EP-4540246-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-04-23 EP disclosed
CN-119137123-A Multi-kinase degradants, compositions comprising the same, and methods of use thereof 百放开曼有限公司 2024-12-13 CN disclosed
US-20240368159-A1 HPK1 DEGRADERS, COMPOSITIONS COMPRISING THE HPK1 DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-11-07 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
EP-4392420-A1 HPK1 DEGRADERS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-07-03 EP disclosed
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-1312151-C (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2007-04-25 CN disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN 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

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 ALDH1A1 1532/4885CYP3A4 630/4885HPGD 785/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALDH1A1 1571/4885CYP3A4 95/4885HPGD 580/4885
US-20240368159-A1 HPK1 DEGRADERS, COMPOSITIONS COMPRISING THE HPK1 DEGRADER, AND METHODS OF USING THE SAME HYPK, PGK1, HIPK1 ALDH1A1 2946/4885CYP3A4 2248/4885HPGD 751/4885
US-20250368640-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME MAP4K1, MAP4K4, MAP4K5 ALDH1A1 3109/4885CYP3A4 602/4885HPGD 1899/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C ALDH1A1 1634/4885CYP3A4 1886/4885HPGD 1683/4885

“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.