SCHEMBL3412286

SCHEMBL3412286

CC(=O)Nc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KCNMA1 Q12791 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 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
SCHEMBL9185883 0.88 KMT2A (0.56) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL15303135 0.85 TDP1 (0.51) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL29209739 0.84 RXFP1 (0.47) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL7709283 0.83 MAPT (0.46) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL7709281 0.83 MAPT (0.46) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL249599 0.82 KCNMA1 (0.56) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL5144247 0.82 KCNMA1 (0.63) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL30388557 0.82 KCNMA1 (0.63) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL9872830 0.81 MEN1 (0.50) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL601548 0.81 KMT2A (0.50) MEN1KMT2APOLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305018-B Preparation method of 3-bromo-2-fluoronitrobenzene 浙江普洛家园药业有限公司 2022-07-15 CN claimed
CN-118684581-A Method for preparing ultra-high purity 3-bromo-2-fluoronitrobenzene by coupling melt crystallization 天津科技大学 2024-09-24 CN disclosed
CN-110305018-B Preparation method of 3-bromo-2-fluoronitrobenzene 浙江普洛家园药业有限公司 2022-07-15 CN disclosed
CN-110305018-B Preparation method of 3-bromo-2-fluoronitrobenzene 浙江普洛家园药业有限公司 2022-07-15 CN disclosed
US-20200155525-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2020-05-21 US disclosed
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-11-21 US disclosed
US-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-08-27 US disclosed
EP-2770994-B1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED LLC (US) 2019-08-21 EP disclosed
US-10342788-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-07-09 US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US disclosed
US-7094763-B2 Substituted fused heterocyclic C-glycosides JANSSEN PHARACEUTICA, N.V. (BE) 2006-08-22 US disclosed
EP-1679965-A2 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
EP-1608627-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-28 EP disclosed
US-20050037980-A1 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012318-A2 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 WO disclosed
WO-2004082605-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 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 (7 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-20190352279-A1 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A MEN1 4360/4885KMT2A 4180/4885POLB 2295/4885
US-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A MEN1 4394/4885KMT2A 3108/4885POLB 3221/4885
US-10342788-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof COL1A1, NOX4, FGF1 MEN1 1889/4885KMT2A 4492/4885POLB 2204/4885
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR MEN1 1113/4885KMT2A 4223/4885POLB 4642/4885
US-10654832-B2 3-(benzoimidazol-2-YL)-indazole inhibitors of the Wnt signaling pathway and therapeutic uses thereof WNT1, WNT3, WNT3A MEN1 4360/4885KMT2A 4180/4885POLB 2295/4885
US-20200155525-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF COL1A1, NOX4, FGF1 MEN1 1889/4885KMT2A 4492/4885POLB 2204/4885
US-20050037980-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG MEN1 2465/4885KMT2A 4431/4885POLB 4559/4885

“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.