SCHEMBL855443

SCHEMBL855443

NCc1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.46
KDM1A O60341 3/20 0.41
KCNH2 Q12809 2/20 0.41
KDM1B Q8NB78 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 1/20 0.38
RCOR1 Q9UKL0 1/20 0.37
KIF11 P52732 1/20 0.36
ABAT P80404 1/20 0.36
PNMT P11086 1/20 0.35
ENPP2 Q13822 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
Hydrochloric Acid SCHEMBL29567776 0.98 LOXL2 (0.44) LOXL2KDM1AKCNH2KDM1BTAAR1
Hydrochloric Acid SCHEMBL16037704 0.98 LOXL2 (0.44) LOXL2KDM1AKCNH2KDM1BTAAR1
SCHEMBL1128476 0.84 TAAR1 (0.52) TAAR1HTR2APNMT
SCHEMBL51845 0.82 KDM4E (0.47) LOXL2TAAR1HRH3HTR2AABAT
SCHEMBL3400966 0.82 KDM4E (0.47) LOXL2TAAR1HRH3HTR2AABAT
SCHEMBL16922694 0.81 KDM1A (0.39) KDM1AKCNH2KDM1BRCOR1KIF11
Hydrochloric Acid SCHEMBL148514 0.80 KDM4E (0.46) LOXL2TAAR1HRH3HTR2APNMT
SCHEMBL12533678 0.79 KDM1A (0.38) KDM1AKCNH2KDM1BTAAR1HTR2A
SCHEMBL377446 0.79 CYP1A2 (0.41) KDM1AKCNH2KDM1BRCOR1KIF11
SCHEMBL110823 0.78 LOXL2 (0.52) LOXL2TAAR1HRH3ABATPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12473301-B2 Isoquinoline compounds for the treatment of cancer GENENTECH, INC. (US) 2025-11-18 US disclosed
US-20250282760-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-11 US disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
US-20250206763-A1 ENPP1 INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-06-26 US disclosed
EP-3860995-B1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2025-04-16 EP disclosed
EP-4518853-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-03-12 EP disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 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 (9 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 LOXL2 2436/4885KDM1A 1259/4885KCNH2 3264/4885
US-12473301-B2 Isoquinoline compounds for the treatment of cancer PGK1, PHKG1, NEK1 LOXL2 2866/4885KDM1A 962/4885KCNH2 3397/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 LOXL2 2941/4885KDM1A 795/4885KCNH2 238/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 LOXL2 3054/4885KDM1A 817/4885KCNH2 236/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 LOXL2 3166/4885KDM1A 540/4885KCNH2 150/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 LOXL2 2931/4885KDM1A 936/4885KCNH2 232/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 LOXL2 1899/4885KDM1A 790/4885KCNH2 4870/4885
US-20250282760-A1 OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR LOXL2 1028/4885KDM1A 1803/4885KCNH2 1968/4885
US-20250206763-A1 ENPP1 INHIBITOR ENPP1, PPP1R1B, ENPP3 LOXL2 3300/4885KDM1A 3536/4885KCNH2 4341/4885

“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.