SCHEMBL18449481

SCHEMBL18449481

CC(Nc1nccnc1Cl)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
GALR3 O60755 1/20 0.50
NR2F2 P24468 1/20 0.50
ATP1A1 P05023 4/20 0.48
ATP1B1 P05026 4/20 0.48
ATP1A3 P13637 4/20 0.48
ATP1B2 P14415 4/20 0.48
ATP1A2 P50993 4/20 0.48
ATP1B3 P54709 4/20 0.48
FXYD2 P54710 4/20 0.48
ATP1A4 Q13733 4/20 0.48
IDH1 O75874 3/20 0.47
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
TNF P01375 1/20 0.46
RAB9A P51151 1/20 0.46
NOD1 Q9Y239 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL19205648 1.00 ALDH1A1 (0.55) ALDH1A1HPGDGALR3NR2F2ATP1A1
SCHEMBL18483206 1.00 ALDH1A1 (0.55) ALDH1A1HPGDGALR3NR2F2ATP1A1
SCHEMBL19205819 0.86 ATP1A1 (0.49) ALDH1A1HPGDATP1A1ATP1B1ATP1A3
SCHEMBL19205818 0.86 ATP1A1 (0.49) ALDH1A1HPGDATP1A1ATP1B1ATP1A3
SCHEMBL18483484 0.85 IDH1 (0.45) ALDH1A1HPGDGALR3NR2F2ATP1A1
SCHEMBL18483488 0.85 IDH1 (0.45) ALDH1A1HPGDGALR3NR2F2ATP1A1
SCHEMBL3147327 0.81 RAB9A (0.51) ALDH1A1HPGDIDH1GAALMNA
SCHEMBL18483511 0.80 CYP2C19 (0.46) ALDH1A1HPGDGAAHTTLMNA
SCHEMBL19205602 0.80 CYP2C19 (0.46) ALDH1A1HPGDGAAHTTLMNA
SCHEMBL3953538 0.79 ALDH1A1 (0.55) ALDH1A1HPGDGALR3NR2F2ATP1A1

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 20 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-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
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 ALDH1A1 1342/4885HPGD 2536/4885GALR3 231/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ALDH1A1 1342/4885HPGD 2536/4885GALR3 231/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885HPGD 2735/4885GALR3 208/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1376/4885HPGD 2879/4885GALR3 365/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885HPGD 2735/4885GALR3 208/4885

“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.