SCHEMBL1991606

SCHEMBL1991606

O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 3/20 0.64
NT5E P21589 1/20 0.64
MAPK1 P28482 1/20 0.64
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
NAMPT P43490 1/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRMT1 Q99873 1/20 0.56
MAPT P10636 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PTPN1 P18031 1/20 0.55
PTGS2 P35354 1/20 0.55

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
SCHEMBL4618184 1.00 TRPV1 (0.65) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3674376 0.90 TRPV1 (0.76) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9767723 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL10939703 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL611657 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL31053876 0.83 MITF (0.68) TRPV1NPC1RAB9AKMT2ALMNA
SCHEMBL2409003 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL6710662 0.83 MITF (0.68) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL6556039 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2ANT5E
SCHEMBL10439291 0.83 TRPV1 (0.67) TRPV1NPC1RAB9AKMT2ALMNA

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
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPV1 150/4885NPC1 937/4885RAB9A 1592/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPV1 150/4885NPC1 937/4885RAB9A 1592/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPV1 150/4885NPC1 937/4885RAB9A 1592/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPV1 150/4885NPC1 937/4885RAB9A 1592/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R TRPV1 150/4885NPC1 937/4885RAB9A 1592/4885

“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.