SCHEMBL18449580

SCHEMBL18449580

Cc1cc(F)ccc1-c1nccnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.46
▸ MAPT P10636 6/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK14 Q16539 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL18448730 0.86 NPBWR1 (0.47) MAPTTDP1LMNAKMT2AMEN1
SCHEMBL18448403 0.86 TAAR1 (0.47) TAAR1MAPTTDP1LMNAKMT2A
SCHEMBL18447813 0.84 TAAR1 (0.46) TAAR1MAPTTDP1LMNAKMT2A
SCHEMBL18483195 0.82 ACHE (0.44) TAAR1MAPTTDP1LMNAKMT2A
SCHEMBL18449560 0.81 IDO1 (0.50) MAPTTDP1KMT2AMEN1SMN1; SMN2
SCHEMBL18448788 0.79 KIT (0.39) TAAR1MAPK14MAPK13ALOX5MAPK12
SCHEMBL14988205 0.77 MEN1 (0.45) TAAR1MAPTTDP1LMNAKMT2A
SCHEMBL18448504 0.77 ACHE (0.64) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL18483189 0.76 ACHE (0.44) MAPTTDP1LMNAKMT2AMEN1
SCHEMBL18447910 0.76 MAPT (0.43) TAAR1MAPTTDP1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 — — US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 — — US disclosed
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 — — EP disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — WO 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC TAAR1 1276/4885MAPT 635/4885TDP1 4496/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC TAAR1 1276/4885MAPT 635/4885TDP1 4496/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1212/4885MAPT 667/4885TDP1 4430/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1439/4885MAPT 402/4885TDP1 4591/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1212/4885MAPT 667/4885TDP1 4430/4885

“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.

Send feedback