SCHEMBL450293

SCHEMBL450293

O=C(Cl)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.44
TP53 P04637 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5875894 0.86 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL136718 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTCYP3A4TDP1
SCHEMBL10694655 0.83 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL4009107 0.82 MAPK1 (0.52) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL30356285 0.82 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL5875909 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTCYP3A4TDP1
SCHEMBL29695698 0.82 MAPK1 (0.52) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL4638377 0.82 KMT2A (0.60) ALDH1A1TSHRKMT2ACYP3A4TDP1
SCHEMBL4954263 0.80 L3MBTL1 (0.63) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL2243892 0.80 GPR35 (0.56) ALDH1A1TSHRKMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315463-B Polymer, aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element 捷恩智株式会社 2019-11-26 CN disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
EP-1097129-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-05-09 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US disclosed
WO-2000005201-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-02-03 WO disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 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 (3 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885TSHR 2895/4885KMT2A 1046/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885TSHR 2541/4885KMT2A 1457/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 ALDH1A1 544/4885TSHR 4030/4885KMT2A 679/4885

“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.