SCHEMBL19205613

SCHEMBL19205613

C[C@@H](Oc1nccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ VDR P11473 1/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ LMNA P02545 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.35
▸ OPRK1 P41145 2/20 0.35

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
SCHEMBL19205692 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CIDO1VDR
SCHEMBL19205615 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CIDO1VDR
SCHEMBL19205688 0.86 MMP2 (0.36) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205686 0.86 MMP2 (0.36) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL18447791 0.83 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205707 0.83 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL18485952 0.83 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL18485943 0.83 L3MBTL1 (0.36) ADRA2AADRA2BADRA2CVDRALDH1A1
SCHEMBL18448786 0.83 ADRA2A (0.44) ADRA2AADRA2BADRA2CIDO1KMT2A
SCHEMBL19205645 0.82 JAK2 (0.37) ADRA2AADRA2BADRA2CCYP2C9HPGD

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 ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ADRA2A 179/4885ADRA2B 120/4885ADRA2C 217/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 473/4885ADRA2B 289/4885ADRA2C 513/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ADRA2A 190/4885ADRA2B 120/4885ADRA2C 237/4885

“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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