SCHEMBL992639

SCHEMBL992639

OCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
KIF11 P52732 2/20 0.45
PDK2 Q15119 2/20 0.37
GABRB2 P47870 2/20 0.35
TSHR P16473 1/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ADORA2A P29274 2/20 0.32
NOS1 P29475 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
LTA4H P09960 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2535263 0.82 KIF11 (0.42) GABRA1GABRG2GABRB3KIF11GABRB2
SCHEMBL18969110 0.80 KIF11 (0.41) GABRA1GABRG2GABRB3KIF11PDK2
SCHEMBL993942 0.80 KIF11 (0.45) GABRA1GABRG2GABRB3KIF11GABRB2
SCHEMBL993831 0.80 KIF11 (0.41) GABRA1GABRG2GABRB3KIF11GABRB2
SCHEMBL17600535 0.79 KIF11 (0.49) GABRA1GABRG2GABRB3KIF11GABRB2
SCHEMBL17600537 0.78 KIF11 (0.41) GABRA1GABRG2GABRB3KIF11GABRB2
SCHEMBL31751418 0.78 KIF11 (0.41) GABRA1GABRG2GABRB3KIF11GABRB2
Hydrochloric Acid SCHEMBL993872 0.78 KIF11 (0.44) GABRA1GABRG2GABRB3KIF11ADORA2A
SCHEMBL16050172 0.78 RXRA (0.49) KIF11TSHRCA2RXRARXRB
SCHEMBL18969775 0.77 KIF11 (0.40) GABRA1GABRG2GABRB3KIF11PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262615-A1 ANTIOXIDANTS CONTAINING DIAZIRINE FUNCTIONALITIES, COMPOSITIONS COMPRISING THEM AND USE THEREOF BELLARE ANUJ (US) 2025-12-26 WO claimed
US-12312741-B2 Process for dyeing high-performance textiles US GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY 2025-05-27 US claimed
US-20250066997-A1 PROCESS FOR DYEING HIGH-PERFORMANCE TEXTILES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2025-02-27 US claimed
WO-2026099154-A1 ADHESIVE DEVICE WITH HIGH BONDING STRENGTH TESA SE (DE) 2026-05-15 WO disclosed
EP-4724416-A2 MECHANOPHORE CROSSLINKERS FOR TOUGH, CROSSLINKED POLYMERS Duke University (US) 2026-04-15 EP disclosed
EP-4242215-B1 REACTIVITY-IMPARTING COMPOUND, METHOD FOR PRODUCING REACTIVITY-IMPARTING COMPOUND, AND LAYERED BODY NATIONAL UNIV CORPORATION IWATE UNIV (JP) 2026-02-25 EP disclosed
WO-2025262615-A1 ANTIOXIDANTS CONTAINING DIAZIRINE FUNCTIONALITIES, COMPOSITIONS COMPRISING THEM AND USE THEREOF BELLARE ANUJ (US) 2025-12-26 WO disclosed
US-12312741-B2 Process for dyeing high-performance textiles US GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY 2025-05-27 US disclosed
US-20250074929-A1 REACTIVITY-IMPARTING COMPOUND, METHOD FOR PRODUCING REACTIVITY-IMPARTING COMPOUND, AND LAYERED BODY NATIONAL UNIVERSITY CORPORATION, IWATE UNIVERSITY (JP) 2025-03-06 US disclosed
US-20250066997-A1 PROCESS FOR DYEING HIGH-PERFORMANCE TEXTILES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2025-02-27 US disclosed
WO-2023195932-A2 USES OF DIAZIRINES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-10-12 WO disclosed
US-7713706-B2 Method of fixing low-molecular compound to solid-phase support RIKEN (JP) 2010-05-11 US disclosed
US-7713706-B2 Method of fixing low-molecular compound to solid-phase support RIKEN (JP) 2010-05-11 US disclosed
WO-2009145816-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-03 WO disclosed
WO-2009145816-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-03 WO disclosed
US-20080124809-A1 Method of Interaction Observation RIKEN (JP) 2008-05-29 US disclosed
US-20080124809-A1 Method of Interaction Observation RIKEN (JP) 2008-05-29 US disclosed
US-20070266775-A1 Method for producing a biosensor FUJIFILM CORPORATION (JP) 2007-11-22 US disclosed
US-20070266775-A1 Method for producing a biosensor FUJIFILM CORPORATION (JP) 2007-11-22 US disclosed
EP-1811301-A1 METHOD OF INTERACTION OBSERVATION Riken (JP) 2007-07-25 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 (1 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-20250074929-A1 REACTIVITY-IMPARTING COMPOUND, METHOD FOR PRODUCING REACTIVITY-IMPARTING COMPOUND, AND LAYERED BODY INSRR, INSR, CYP2E1 GABRA1 1525/4885GABRG2 3563/4885GABRB3 2817/4885

“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.