SCHEMBL19205752

SCHEMBL19205752

Cc1ccc([C@@H](C)Oc2nccnc2-c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 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 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ MEN1 O00255 3/20 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
SCHEMBL19205753 1.00 ALDH1A1 (0.38) ALDH1A1GAAMAPTTDP1MMP2
SCHEMBL19205688 0.89 MMP2 (0.36) ALDH1A1GAAMAPTTDP1MMP2
SCHEMBL19205686 0.89 MMP2 (0.36) ALDH1A1GAAMAPTTDP1MMP2
SCHEMBL19205642 0.82 SQOR (0.33) GAAMAPTSMN1; SMN2MAPK14NPC1
SCHEMBL19205615 0.79 ADRA2A (0.41) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL19205613 0.79 ADRA2A (0.41) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL19205692 0.79 ADRA2A (0.41) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL18485952 0.78 ADRA2A (0.44) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL19205707 0.78 ADRA2A (0.44) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL18447791 0.78 ADRA2A (0.44) ALDH1A1GAAMAPTTDP1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 1342/4885GAA 3063/4885MAPT 635/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ALDH1A1 1342/4885GAA 3063/4885MAPT 635/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885GAA 3374/4885MAPT 667/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1376/4885GAA 3237/4885MAPT 402/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ALDH1A1 1415/4885GAA 3374/4885MAPT 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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