SCHEMBL18447791

SCHEMBL18447791

CC(Oc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL18485952 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205707 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205615 0.83 ADRA2A (0.41) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205613 0.83 ADRA2A (0.41) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205692 0.83 ADRA2A (0.41) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205732 0.80 HTR6 (0.41) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL18449630 0.80 HTR6 (0.41) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL18448288 0.80 HTR6 (0.41) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL18448786 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL22271050 0.78 RORC (0.40) ADRA2AADRA2BADRA2CMAPK1HTR6

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 18 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
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-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 ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 473/4885ADRA2B 289/4885ADRA2C 513/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885

“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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