SCHEMBL19205739

SCHEMBL19205739

CC(Nc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ DYRK1A Q13627 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ COASY Q13057 1/20 0.38
▸ DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL19205737 1.00 ALDH1A1 (0.46) ALDH1A1HPGDGAAHTTDYRK1A
SCHEMBL19205626 0.83 ADORA3 (0.44) DYRK1AMAPTADORA3ADORA1ADORA2A
SCHEMBL18484160 0.83 ADORA3 (0.44) DYRK1AMAPTADORA3ADORA1ADORA2A
SCHEMBL22270670 0.82 DYRK1A (0.43) DYRK1AMAPTADORA3ADORA1ADORA2A
SCHEMBL18484100 0.80 KMT2A (0.44) ALDH1A1HPGDGAAHTTMAPT
SCHEMBL18484101 0.80 KMT2A (0.44) ALDH1A1HPGDGAAHTTMAPT
SCHEMBL18483217 0.77 MAPT (0.39) ALDH1A1HPGDGAAHTTPOLB
SCHEMBL19205805 0.77 TAAR1 (0.39) ALDH1A1GAAHTTMAPTMEN1
SCHEMBL19205804 0.77 TAAR1 (0.39) ALDH1A1GAAHTTMAPTMEN1
SCHEMBL18483213 0.75 ALDH1A1 (0.41) ALDH1A1HPGDGAAHTTPOLB

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 ALDH1A1 1342/4885HPGD 2536/4885GAA 3063/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ALDH1A1 1342/4885HPGD 2536/4885GAA 3063/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885HPGD 2735/4885GAA 3374/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1376/4885HPGD 2879/4885GAA 3237/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885HPGD 2735/4885GAA 3374/4885

“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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