SCHEMBL11222729

SCHEMBL11222729

O=[N+]([O-])c1ccc(-c2nccnc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MAPT P10636 7/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
POLB P06746 2/20 0.43
APP P05067 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 2/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL18447788 0.80 MAPT (0.54) IDO1MAPTLMNATHRBPOLB
SCHEMBL18447787 0.80 KMT2A (0.55) IDO1MAPTLMNATHRBPOLB
SCHEMBL18448504 0.79 ACHE (0.64) IDO1MAPTLMNATHRBPOLB
SCHEMBL19240302 0.79 ACHE (0.48) IDO1MAPTLMNAPOLBAPP
SCHEMBL11216382 0.79 IDO1 (0.47) IDO1MAPTLMNAPOLBAPP
SCHEMBL2831148 0.79 ALDH1A1 (0.64) IDO1MAPTLMNAPOLBAPP
SCHEMBL18448145 0.78 IDO1 (0.47) IDO1MAPTLMNAPOLBALDH1A1
SCHEMBL27632468 0.76 MAPT (0.47) MAPTLMNATHRBPOLBAPP
SCHEMBL18449325 0.76 KMT2A (0.53) IDO1MAPTLMNAPOLBAPP
SCHEMBL18449777 0.76 PIK3CA (0.52) MAPTLMNAPOLBALDH1A1KDM4E

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 23 patents — showing the first 20. 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
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-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
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 WO disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 WO disclosed
US-4343802-A ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS MERCK, SHARP & DOHME (I.A.) CORP. (US) 1982-08-10 US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 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 IDO1 2891/4885MAPT 635/4885LMNA 3248/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC IDO1 2891/4885MAPT 635/4885LMNA 3248/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC IDO1 2922/4885MAPT 667/4885LMNA 3544/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC IDO1 4111/4885MAPT 402/4885LMNA 3988/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC IDO1 2922/4885MAPT 667/4885LMNA 3544/4885

“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.