SCHEMBL19205818

SCHEMBL19205818

C[C@H](Nc1nccnc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.49
▸ ATP1B1 P05026 1/20 0.49
▸ ATP1A3 P13637 1/20 0.49
▸ ATP1B2 P14415 1/20 0.49
▸ ATP1A2 P50993 1/20 0.49
▸ ATP1B3 P54709 1/20 0.49
▸ FXYD2 P54710 1/20 0.49
▸ ATP1A4 Q13733 1/20 0.49
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ P2RX3 P56373 3/20 0.40
▸ LDHA P00338 2/20 0.40
▸ LDHB P07195 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ PDE1C Q14123 1/20 0.39

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
SCHEMBL19205819 1.00 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18483484 0.88 IDH1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18483488 0.88 IDH1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18449481 0.86 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18483206 0.86 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19205648 0.86 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3147327 0.84 RAB9A (0.51) HPGDALDH1A1SMN1; SMN2KDM4EP2RX3
SCHEMBL19205733 0.76 ATP1A1 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19205734 0.76 ATP1A1 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11103636 0.76 CNR1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 17 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
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 ATP1A1 2101/4885ATP1B1 2007/4885ATP1A3 2643/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ATP1A1 2101/4885ATP1B1 2007/4885ATP1A3 2643/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 2242/4885ATP1B1 1996/4885ATP1A3 2705/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 1874/4885ATP1B1 1888/4885ATP1A3 2811/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 2242/4885ATP1B1 1996/4885ATP1A3 2705/4885

“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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