SCHEMBL3398486

SCHEMBL3398486

Nc1cccc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.53
BACE1 P56817 1/20 0.53
MAOA P21397 1/20 0.50
AR P10275 1/20 0.50
MAP4K4 O95819 1/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
TRPA1 O75762 3/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL28548702 0.89 TSHR (0.53) SCN9ABACE1MAOAARMAP4K4
SCHEMBL28912663 0.89 TSHR (0.53) SCN9ABACE1MAOAARMAP4K4
SCHEMBL3783934 0.87 MAP4K4 (0.46) SCN9ABACE1MAOAARMAP4K4
SCHEMBL28686237 0.86 MAP4K4 (0.45) SCN9ABACE1MAOAARMAP4K4
SCHEMBL672246 0.85 TSHR (0.52) SCN9ABACE1MAOAMAP4K4TSHR
SCHEMBL3804592 0.85 TSHR (0.68) SCN9ABACE1MAOAMAP4K4TSHR
SCHEMBL29805892 0.85 BACE1 (0.51) SCN9ABACE1ARTSHRGLA
SCHEMBL29065978 0.85 BACE1 (0.51) SCN9ABACE1ARTSHRGLA
SCHEMBL29521739 0.81 MAOA (0.50) MAOAMAP4K4TRPA1
SCHEMBL28301348 0.81 MAOA (0.50) MAOAMAP4K4TRPA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
CN-105829311-A SPIROINDOLINE ANTIPARASITIC DERIVATIVES 硕腾服务有限责任公司 2016-08-03 CN disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1569896-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-15 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-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 SCN9A 371/4885BACE1 4023/4885MAOA 1968/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SCN9A 4087/4885BACE1 925/4885MAOA 348/4885

“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.