SCHEMBL19205805

SCHEMBL19205805

CC(Nc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ THRB P10828 2/20 0.38
▸ P2RX7 Q99572 3/20 0.38
▸ SOS1 Q07889 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK14 Q16539 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL19205804 1.00 TAAR1 (0.39) TAAR1MAPTTHRBP2RX7SOS1
SCHEMBL19205746 0.88 MAPT (0.41) TAAR1MAPTTHRBSOS1PIK3CA
SCHEMBL19205745 0.88 MAPT (0.41) TAAR1MAPTTHRBSOS1PIK3CA
SCHEMBL18483217 0.88 MAPT (0.39) MAPTTHRBPIK3CAPIK3CBPIK3CG
SCHEMBL18484101 0.87 KMT2A (0.44) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL18484100 0.87 KMT2A (0.44) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL19205662 0.84 SOS1 (0.39) P2RX7SOS1PIK3CGMAPK14LMNA
SCHEMBL19205663 0.84 SOS1 (0.39) P2RX7SOS1PIK3CGMAPK14LMNA
SCHEMBL22270657 0.83 SOS1 (0.39) P2RX7SOS1MAPK14LMNATP53
SCHEMBL19205620 0.80 ALDH1A1 (0.41) MAPTTHRBALDH1A1KMT2ALMNA

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 9 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-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-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 — — 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

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 635/4885THRB 150/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC TAAR1 1276/4885MAPT 635/4885THRB 150/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1212/4885MAPT 667/4885THRB 138/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1439/4885MAPT 402/4885THRB 306/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TAAR1 1212/4885MAPT 667/4885THRB 138/4885

“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.

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