SCHEMBL1797508

SCHEMBL1797508

Nc1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.67
PDPK1 O15530 1/20 0.47
MAPT P10636 3/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
BACE1 P56817 2/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
LTA4H P09960 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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 SCHEMBL2132244 0.98 ASIC3 (0.64) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL6550571 0.84 RAB9A (0.59) MAPTRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL12443810 0.83 ASIC3 (0.72) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL9275978 0.81 ASIC3 (0.91) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL30465795 0.80 ASIC3 (1.00) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL1039866 0.80 ASIC3 (1.00) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL3925093 0.80 ASIC3 (0.62) ASIC3PDPK1BACE1ADORA2AADORA1
SCHEMBL23110562 0.79 ASIC3 (0.67) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL8082146 0.79 MAPT (0.72) ASIC3PDPK1MAPTNOS3NOS1
SCHEMBL20390781 0.79 ASIC3 (0.67) ASIC3PDPK1MAPTNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 WO disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
CN-102325767-A 7-phenoxy chroman carboxylic acid derivative ARRAY BIOPHARMA INC 2012-01-18 CN disclosed
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 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 (4 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-10519158-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 ASIC3 35/4885PDPK1 1682/4885MAPT 2292/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ASIC3 85/4885PDPK1 937/4885MAPT 1842/4885
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 ASIC3 35/4885PDPK1 1682/4885MAPT 2292/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 ASIC3 2959/4885PDPK1 2069/4885MAPT 4366/4885

“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.