SCHEMBL19205758

SCHEMBL19205758

CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3NC(C)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CNR2 P34972 1/20 0.40
▸ RORC P51449 9/20 0.40
▸ NR2E1 Q9Y466 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 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
SCHEMBL19205756 1.00 MEN1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205684 0.91 RORC (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205643 0.91 RORC (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205807 0.91 RORC (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205729 0.90 RORC (0.43) RORCNR2E1CYP2D6PSEN1PSEN2
SCHEMBL19205728 0.90 RORC (0.43) RORCNR2E1CYP2D6PSEN1PSEN2
SCHEMBL21796353 0.90 NPC1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205657 0.90 NPC1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18447801 0.88 NPC1 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19205594 0.86 KCNJ5 (0.42) MEN1KMT2ANPC1RAB9ARORC

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 8 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 claimed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP claimed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US claimed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 — — US claimed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US claimed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MEN1 3503/4885KMT2A 1813/4885MAPT 635/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MEN1 4354/4885KMT2A 2561/4885MAPT 402/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MEN1 3875/4885KMT2A 1798/4885MAPT 667/4885

“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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