SCHEMBL13680579

SCHEMBL13680579

Cc1cccc(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.60
TRPA1 O75762 1/20 0.52
FAAH O00519 2/20 0.49
TGFBR1 P36897 3/20 0.48
MAPK14 Q16539 3/20 0.48
APP P05067 1/20 0.45
RAB9A P51151 1/20 0.44
CREBBP Q92793 2/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
AR P10275 2/20 0.42
BRD4 O60885 1/20 0.42
PRMT5 O14744 1/20 0.42
ENPP3 O14638 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 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
SCHEMBL18751498 0.87 NR3C1 (0.50) NR3C1TGFBR1MAPK14BRD4ENPP3
SCHEMBL23638931 0.85 TRPA1 (0.60) NR3C1TRPA1FAAHTGFBR1MAPK14
SCHEMBL15640128 0.83 TRPA1 (0.50) NR3C1TRPA1TGFBR1MAPK14CREBBP
SCHEMBL15344153 0.83 TRPA1 (0.48) NR3C1TRPA1FAAHAPPAR
SCHEMBL20004068 0.83 TRPA1 (0.55) NR3C1TRPA1FAAHTGFBR1MAPK14
SCHEMBL18652292 0.83 IRAK4 (0.51) NR3C1TRPA1FAAHAPPAR
SCHEMBL424964 0.81 TRPA1 (0.46) NR3C1TRPA1APP
SCHEMBL29769166 0.81 TRPA1 (0.46) NR3C1TRPA1APP
SCHEMBL17547028 0.80 TRPA1 (0.49) NR3C1TRPA1FAAHTGFBR1APP
SCHEMBL15340863 0.80 TRPA1 (0.49) NR3C1TRPA1FAAHAPPCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975906-B2 Tricyclic heterocycle derivatives having HIV replication inhibitory effect SHIONOGI & CO., LTD. (JP) 2018-05-22 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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 (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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 NR3C1 1036/4885TRPA1 4141/4885FAAH 3582/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 NR3C1 1882/4885TRPA1 1572/4885FAAH 3430/4885
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT NR4A1, NR4A3, NR0B1 NR3C1 8/4885TRPA1 4030/4885FAAH 4818/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 NR3C1 860/4885TRPA1 4766/4885FAAH 4110/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 NR3C1 1961/4885TRPA1 4316/4885FAAH 4377/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 NR3C1 1961/4885TRPA1 4316/4885FAAH 4377/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 NR3C1 860/4885TRPA1 4766/4885FAAH 4110/4885

“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.