SCHEMBL1944404

SCHEMBL1944404

Nc1c(OCc2ccccc2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
KDM1A O60341 2/20 0.44
PIN1 Q13526 2/20 0.44
MGMT P16455 1/20 0.44
CYP19A1 P11511 5/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CTSB P07858 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL30501940 1.00 POLB (0.46) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5591435 0.86 MGMT (0.46) MEN1KMT2AMAPTMGMTCYP19A1
SCHEMBL28521933 0.85 PIN1 (0.49) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5241194 0.85 MAPT (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5902009 0.83 CTSV (0.47) POLBMEN1KMT2AMAPTCTSV
SCHEMBL1583614 0.83 POLB (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL31473699 0.83 POLB (0.57) POLBMEN1KMT2AMAPTCTSV
SCHEMBL29751809 0.83 POLB (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL1312167 0.83 POLB (0.57) POLBMEN1KMT2AMAPTCTSV
SCHEMBL16427372 0.83 MEN1 (0.55) POLBMEN1KMT2AMAPTCTSV

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249694-B In terglazan Process for the preparation of intermediates 浙江四维医药科技有限公司 2025-06-17 CN disclosed
CN-119638631-A Preparation method of key intermediate of agoraphobia 安徽皓元药业有限公司 2025-03-18 CN disclosed
CN-114249694-A Preparation method of texas intermediate 浙江四维医药科技有限公司 2022-03-29 CN disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-1756067-A1 7-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION Altana Pharma AG (DE) 2007-02-28 EP disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
CN-1764662-A Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2006-04-26 CN disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
CN-1720236-A 4-substituted benzimidazoles and their use as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-01-11 CN disclosed
WO-2005111000-A1 7-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION ALTANA PHARMA AG (DE) 2005-11-24 WO disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 WO 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 (4 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR POLB 3725/4885MEN1 3164/4885KMT2A 3220/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI POLB 4645/4885MEN1 2551/4885KMT2A 4095/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN POLB 3783/4885MEN1 3190/4885KMT2A 930/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN POLB 3783/4885MEN1 3190/4885KMT2A 930/4885

“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.