SCHEMBL19205741

SCHEMBL19205741

CC(C)(C)n1ncc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PTGS1 P23219 1/20 0.43
GCGR P47871 1/20 0.42
MAPK14 Q16539 1/20 0.42
POLB P06746 1/20 0.41
HSPB1 P04792 2/20 0.41
KMT2A Q03164 4/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
NR3C2 P08235 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 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
SCHEMBL4322114 0.81 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL19205727 0.79 KMT2A (0.42) RAB9ANPC1ALDH1A1GCGRMAPK14
SCHEMBL19205693 0.74 MAPK14 (0.39) RAB9ANPC1ALDH1A1PTGS1MAPK14
SCHEMBL8492166 0.73 PTGS2 (0.54) PTGS1KMT2A
SCHEMBL4312215 0.73 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1PTGS1KMT2A
SCHEMBL2961612 0.71 HSPB1 (0.67) RAB9ANPC1ALDH1A1PTGS1GCGR
SCHEMBL3493215 0.70 KDM4E (0.50) RAB9ANPC1ALDH1A1MAPK14KMT2A
Water SCHEMBL4218173 0.69 HSPB1 (0.64) RAB9ANPC1ALDH1A1PTGS1GCGR
Ethane SCHEMBL28251595 0.69 HSPB1 (0.69) ALDH1A1POLBHSPB1KMT2AKCNJ1
SCHEMBL4311743 0.69 DRD1 (0.42) RAB9ANPC1ALDH1A1PTGS1SMN1; SMN2

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 13 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-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

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 RAB9A 668/4885NPC1 2924/4885ALDH1A1 1342/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC RAB9A 668/4885NPC1 2924/4885ALDH1A1 1342/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC RAB9A 653/4885NPC1 3074/4885ALDH1A1 1415/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC RAB9A 774/4885NPC1 2220/4885ALDH1A1 1376/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC RAB9A 653/4885NPC1 3074/4885ALDH1A1 1415/4885

“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.