SCHEMBL1336153

SCHEMBL1336153

Oc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ACP1 P24666 1/20 0.40
PTGS1 P23219 3/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 2/20 0.34
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL29561341 1.00 NOTUM (0.47) NOTUMACP1PTGS1TMPRSS4TAS2R14
Bicarbonate SCHEMBL28308442 0.88 NOTUM (0.47) NOTUMACP1PTGS1TMPRSS4TAS2R14
SCHEMBL131138 0.82 NOTUM (0.50) NOTUMACP1TMPRSS4TAS2R14CES2
SCHEMBL1082212 0.82 NOTUM (0.50) NOTUMACP1TMPRSS4TAS2R14CES2
SCHEMBL186842 0.82 GABRA1 (0.52) PTGS1KIF11CES2GABRA1GABRB2
SCHEMBL69029 0.82 PTGS1 (0.52) PTGS1KIF11CES2GABRA1GABRB2
SCHEMBL1445873 0.79 NOTUM (0.48) NOTUMACP1TMPRSS4TAS2R14CES2
Water SCHEMBL21493255 0.79 GABRA1 (0.50) PTGS1KIF11CES2GABRA1GABRB2
SCHEMBL29005991 0.79 GABRA1 (0.50) PTGS1KIF11CES2GABRA1GABRB2
SCHEMBL29886876 0.79 CES2 (0.56) PTGS1KIF11CES2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-20260085064-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2026-03-26 US disclosed
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
EP-4680601-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES Sanofi (FR) 2026-01-21 EP disclosed
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 EP disclosed
EP-4637746-A1 6,6 BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-10-29 EP disclosed
EP-4611743-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
US-12357603-B2 Acyl sulfonamides for treating cancer BAYER AKTIENGESELLSCHAFT (DE) 2025-07-15 US disclosed
US-20250223290-A1 AZAINDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-07-10 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
CN-103002742-A Nuclear transport modulatiors and uses thereof KARYOPHARM THERAPEUTICS INC 2013-03-27 CN disclosed
EP-2542089-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2013-01-09 EP disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
CN-101230075-A Central chirality induced axial chirality diphosphine ligand and method for synthesizing same UNIV WUHAN (CN) 2008-07-30 CN 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 (7 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-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL NOTUM 128/4885ACP1 1074/4885PTGS1 2458/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT NOTUM 4789/4885ACP1 2208/4885PTGS1 1050/4885
US-12357603-B2 Acyl sulfonamides for treating cancer KAT6A, KAT6B, KAT2A NOTUM 1526/4885ACP1 853/4885PTGS1 2139/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 NOTUM 3981/4885ACP1 3195/4885PTGS1 3369/4885
US-20250223290-A1 AZAINDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NLRP3, FABP3, WDR36 NOTUM 1951/4885ACP1 823/4885PTGS1 2499/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 NOTUM 3977/4885ACP1 3188/4885PTGS1 3387/4885
US-20260085064-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BCL6B NOTUM 805/4885ACP1 4800/4885PTGS1 2621/4885

“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.