SCHEMBL3718211

SCHEMBL3718211

Nc1cc(Br)c([N+](=O)[O-])cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 3/20 0.52
CTSB P07858 1/20 0.50
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2D6 P10635 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GPR35 Q9HC97 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL28640450 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL11553055 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL8002989 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL13609636 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL11550471 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL9452645 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBMAPTTSHR
Bromide SCHEMBL4266547 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL7653551 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL30291047 0.83 CYP1A2 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT
SCHEMBL18398966 0.83 CYP1A2 (0.53) ALDH1A1CYP3A4CTSBTDP1MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758935-B2 Soluble polymer with multi-stable electric states and products comprising such polymer NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-24 US disclosed
US-8758935-B2 Soluble polymer with multi-stable electric states and products comprising such polymer NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-24 US disclosed
US-20110294976-A1 SOLUBLE POLYMER WITH MULTI-STABLE ELECTRIC STATES AND PRODUCTS COMPRISING SUCH POLYMER National University of Singpore (SG) 2011-12-01 US disclosed
US-20110294976-A1 SOLUBLE POLYMER WITH MULTI-STABLE ELECTRIC STATES AND PRODUCTS COMPRISING SUCH POLYMER National University of Singpore (SG) 2011-12-01 US disclosed
WO-2010090603-A1 SOLUBLE POLYMER WITH MULTI-STABLE ELECTRIC STATES AND PRODUCTS COMPRISING SUCH POLYMER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-08-12 WO disclosed
EP-1319231-A4 PROGRAMMABLE MOLECULAR DEVICE UNIV WM MARSH RICE (US) 2008-11-19 EP disclosed
EP-1319231-A1 PROGRAMMABLE MOLECULAR DEVICE Wm. MARSH RICE UNIVERSITY (US) 2003-06-18 EP disclosed
US-20030058697-A1 Programmable molecular device NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2003-03-27 US disclosed
WO-2002009117-A1 PROGRAMMABLE MOLECULAR DEVICE WM. MARSH RICE UNIVERSITY (US) 2002-01-31 WO disclosed
EP-0416118-B1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KK (JP) 1993-12-29 EP disclosed
US-5216140-A Monoazo dye and preparation and use thereof CASSELLA AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0463526-A1 Monoazo dyestuff, its preparation and use CASSELLA Aktiengesellschaft (DE) 1992-01-02 EP disclosed
US-5041672-A Process for preparing p-phenylenediamines NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0416118-A1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed
US-4725283-A NITROBENZENE DIRECT DYES FOR HUMAN HAIR L'OREAL (FR) 1988-02-16 US disclosed
US-4079052-A Diazopigments containing pyridine derivatives CIBA-GEIGY CORPORATION (US) 1978-03-14 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 (1 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-20110294976-A1 SOLUBLE POLYMER WITH MULTI-STABLE ELECTRIC STATES AND PRODUCTS COMPRISING SUCH POLYMER EPCAM, CD44, DCX ALDH1A1 2819/4885CYP3A4 3916/4885CTSB 4524/4885

“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.