SCHEMBL4310399

SCHEMBL4310399

CC(=O)Nc1ccc(Cl)c(I)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.38
PYGL P06737 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PKM P14618 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL29683246 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL18755297 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL30216059 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL3876475 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL15594109 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL29179082 0.77 CA1 (0.44) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL15000245 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL4318211 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL14999872 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL13043443 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US disclosed
US-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
EP-0126419-A1 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 EP 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-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885MEN1 4496/4885KMT2A 1390/4885
US-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I ALDH1A1 3548/4885MEN1 415/4885KMT2A 2091/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I ALDH1A1 3548/4885MEN1 415/4885KMT2A 2091/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885MEN1 4496/4885KMT2A 1390/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 ALDH1A1 36/4885MEN1 4542/4885KMT2A 1310/4885

“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.