SCHEMBL4172241

SCHEMBL4172241

O=C(O)c1cc(Br)nn1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
NOTUM Q6P988 2/20 0.41
GAA P10253 2/20 0.40
PDE4B Q07343 1/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
HSD11B1 P28845 1/20 0.39
MARS1 P56192 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 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
SCHEMBL29101588 0.84 LMNA (0.53) ALDH1A1MAPTNOTUMMARS1MEN1
SCHEMBL4168983 0.83 PDE4B (0.44) ALDH1A1KDM4EMAPTPDE4BMEN1
SCHEMBL28675292 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTNOTUMGAA
SCHEMBL30070446 0.81 LMNA (0.44) ALDH1A1KDM4EMAPTGAAGRN
SCHEMBL28960840 0.81 LMNA (0.44) ALDH1A1KDM4EMAPTGAAGRN
SCHEMBL4993401 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EGAAGRNSORT1
SCHEMBL950585 0.78 KLKB1 (0.52) ALDH1A1KDM4EMAPTNOTUMGRN
SCHEMBL535475 0.78 DHODH (0.41) SMN1; SMN2
SCHEMBL29361008 0.78 DHODH (0.41) SMN1; SMN2
SCHEMBL28763473 0.78 AR (0.40) ALDH1A1KDM4EMAPTMARS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572282-A Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof 华东理工大学 2023-01-06 CN disclosed
EP-2564706-A1 Anthranilamide insecticides E. I. du Pont de Nemours and Company (US) 2013-03-06 EP disclosed
CN-101061103-B Anthranilamide insecticides DU PONT 2012-12-12 CN disclosed
US-20090133318-A1 Anthranilamide insecticides E. I. DU PONT DE NEMOURS AND COMPANY 2009-05-28 US disclosed
CN-101061103-A Anthranilamide insecticides DU PONT (US) 2007-10-24 CN disclosed
US-20070184018-A1 Anthranilamide insecticides E. I. DU PONT DE NEMOURS AND COMPANY 2007-08-09 US disclosed
EP-1812421-A2 ANTHRANILAMIDE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-08-01 EP disclosed
CN-1972915-A Anthranilamide insecticides DU PONT (US) 2007-05-30 CN disclosed
EP-1751112-A2 ANTHRANILAMIDE INSECTICIDES E.I.Du pont de nemours and company (US) 2007-02-14 EP disclosed
WO-2006055922-A2 ANTHRANILAMIDE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-26 WO disclosed
WO-2005118552-A2 ANTHRANILAMIDE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-15 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 (2 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-20090133318-A1 Anthranilamide insecticides C3AR1, C5, C1S ALDH1A1 937/4885KDM4E 1010/4885MAPT 4867/4885
US-20070184018-A1 Anthranilamide insecticides F12, CBR3, F3 ALDH1A1 1895/4885KDM4E 1755/4885MAPT 4791/4885

“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.