SCHEMBL214526

SCHEMBL214526

Nc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MASP2 O00187 1/20 0.53
NUDT1 P36639 1/20 0.53
AOC3 Q16853 1/20 0.53
FABP6 P51161 1/20 0.50
TYMS P04818 1/20 0.49
PABPC1 P11940 1/20 0.48
BACE1 P56817 3/20 0.47
PLAU P00749 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
PDPK1 O15530 2/20 0.44
JAK2 O60674 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
Bromide SCHEMBL16011374 0.98 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL5679606 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL30727335 0.84 BACE1 (0.61) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL2725820 0.84 BACE1 (0.61) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL5681861 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL4483413 0.79 NOS1 (0.44) ALDH1A1PABPC1BACE1PDPK1JAK2
SCHEMBL1170673 0.79 PDPK1 (0.51) ALDH1A1PABPC1BACE1PDPK1MMP2
SCHEMBL29449363 0.79 MEN1 (0.57) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL118057 0.79 MEN1 (0.57) ALDH1A1MEN1KMT2AMASP2NUDT1
Hydrochloric Acid SCHEMBL6621838 0.78 MEN1 (0.55) ALDH1A1MEN1KMT2AMASP2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US claimed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
CN-120058739-A Cycloalkyl-or haloalkyl-containing compounds 正大天晴药业集团股份有限公司 2025-05-30 CN disclosed
US-20250034165-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-01-30 US disclosed
EP-4442690-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2024-10-09 EP disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-118265713-A Cycloalkyl-or haloalkyl-containing compounds 正大天晴药业集团股份有限公司 2024-06-28 CN disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed
US-4237286-A COLORING PLASTICS AND LACQUERS IN YELLOW TO RED SHADES CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237292-A SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237293-A COLORFAST SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4132708-A Metal complexes of azomethines and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed
US-4111947-A DYES, PLASTICS, LACQUERS CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-4022770-A COLORING CIBA-GEIGY CORPORATION (US) 1977-05-10 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 (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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885MEN1 3710/4885KMT2A 1202/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 ALDH1A1 1532/4885MEN1 3113/4885KMT2A 1480/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885MEN1 3710/4885KMT2A 1202/4885
US-20250034165-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL KRAS, HRAS, VHL ALDH1A1 1265/4885MEN1 744/4885KMT2A 3640/4885

“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.