SCHEMBL19205620

SCHEMBL19205620

Cc1ccc(C(C)Nc2nccnc2-c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ GAA P10253 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ MMP2 P08253 3/20 0.37
▸ MMP9 P14780 3/20 0.37
▸ MMP8 P22894 3/20 0.37
▸ MMP13 P45452 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL18483213 1.00 ALDH1A1 (0.41) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL19205746 0.89 MAPT (0.41) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL18483217 0.89 MAPT (0.39) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL19205745 0.89 MAPT (0.41) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL18483464 0.82 EGFR (0.36) GAAMAPTSMN1; SMN2
SCHEMBL18483463 0.82 EGFR (0.36) GAAMAPTSMN1; SMN2
SCHEMBL19205805 0.80 TAAR1 (0.39) ALDH1A1GAAHTTMAPTMEN1
SCHEMBL19205804 0.80 TAAR1 (0.39) ALDH1A1GAAHTTMAPTMEN1
SCHEMBL18484101 0.79 KMT2A (0.44) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL18484100 0.79 KMT2A (0.44) ALDH1A1GAAHTTHPGDMAPT

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 10 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-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-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 ALDH1A1 1342/4885GAA 3063/4885HTT 3340/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ALDH1A1 1342/4885GAA 3063/4885HTT 3340/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885GAA 3374/4885HTT 3525/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1376/4885GAA 3237/4885HTT 3241/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885GAA 3374/4885HTT 3525/4885

“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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