SCHEMBL19205688

SCHEMBL19205688

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.36
▸ MMP9 P14780 3/20 0.36
▸ MMP8 P22894 3/20 0.36
▸ MMP13 P45452 3/20 0.36
▸ ACHE P22303 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL19205686 1.00 MMP2 (0.36) MMP2MMP9MMP8MMP13ACHE
SCHEMBL19205753 0.89 ALDH1A1 (0.38) MMP2MMP9MMP8MMP13ACHE
SCHEMBL19205752 0.89 ALDH1A1 (0.38) MMP2MMP9MMP8MMP13ACHE
SCHEMBL19205615 0.86 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL19205692 0.86 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL19205613 0.86 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL19205669 0.83 MAPT (0.33) MAPK14MAPTSMN1; SMN2RAB9AGAA
SCHEMBL18483217 0.79 MAPT (0.39) MMP2MMP9MMP8MMP13ACHE
SCHEMBL18484534 0.78 KMT2A (0.43) MMP2MMP9MMP8MMP13ACHE
SCHEMBL28627402 0.77 S1PR4 (0.43) MMP2MMP9MMP8MMP13ACHE

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 9 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-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 MMP2 4361/4885MMP9 3274/4885MMP8 4007/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MMP2 4361/4885MMP9 3274/4885MMP8 4007/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MMP2 4444/4885MMP9 3495/4885MMP8 4080/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MMP2 4297/4885MMP9 3919/4885MMP8 4520/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MMP2 4444/4885MMP9 3495/4885MMP8 4080/4885

“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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