SCHEMBL446013

SCHEMBL446013

O=Cc1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
VCAM1 P19320 2/20 0.47
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
ERN1 O75460 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A4 P31645 1/20 0.40
XDH P47989 1/20 0.40
HIF1A Q16665 2/20 0.39
HPGD P15428 1/20 0.38
TXNRD1 Q16881 1/20 0.38

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
SCHEMBL18370780 0.95 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL4988910 0.86 HSD17B10 (0.55) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL1094404 0.84 ALDH1A1 (0.56) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL27759780 0.84 KDM4A (0.41) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL9052138 0.83 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL5583374 0.81 VCAM1 (0.55) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL138641 0.80 TDP1 (0.50) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL30953155 0.80 TDP1 (0.50) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL9694173 0.80 TSHR (0.50) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL13527036 0.80 HSD17B10 (0.53) ALDH1A1MAPTCYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493559-A Preparation and application of cyclized indigo receptor and polymer 中国科学院化学研究所 2021-10-12 CN claimed
JP-8268974-A None JP disclosed
CN-113493559-A Preparation and application of cyclized indigo receptor and polymer 中国科学院化学研究所 2021-10-12 CN disclosed
EP-3196189-B1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO (JP) 2020-09-23 EP disclosed
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2019-02-19 US disclosed
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO., LTD. (JP) 2017-08-10 US disclosed
EP-3196189-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND Nippon Soda Co., Ltd. (JP) 2017-07-26 EP disclosed
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9493459-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-11-15 US disclosed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
US-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN-CILAG (FR) 2007-04-05 US disclosed
CN-1894260-A Pyridopyrimidines and pyrimidopyrimidine derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 CN disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 CN disclosed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO disclosed
WO-2006061417-A2 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 WO disclosed
JP-H08268974-A 3-FLUORO-4-CHLORO-6-NITROBENZALDEHYDE, 3-FLUORO-4-CHLORO-6-NITROBENZALDEHYDE ACETAL AND THEIR PRODUCTION UBE IND LTD 1996-10-15 JP 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 (5 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-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer NR1H3, NR1H2, ERBB2 ALDH1A1 3804/4885MAPT 4874/4885CYP3A4 730/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 ALDH1A1 2648/4885MAPT 4756/4885CYP3A4 112/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 ALDH1A1 2965/4885MAPT 4740/4885CYP3A4 177/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 ALDH1A1 2965/4885MAPT 4740/4885CYP3A4 177/4885
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND AZI2, DAO, ALKBH2 ALDH1A1 96/4885MAPT 4774/4885CYP3A4 1658/4885

“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.