SCHEMBL3756069

SCHEMBL3756069

O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
RPS6KA2 Q15349 3/20 0.41
CASP3 P42574 2/20 0.41
CREBBP Q92793 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
ACLY P53396 1/20 0.40
APLNR P35414 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL3759156 0.88 CASP3 (0.49) GLSCA1CA2CASP3CA4
SCHEMBL23112973 0.85 ALDH1A1 (0.50) GLSCA1CA2RPS6KA2CASP3
SCHEMBL31005203 0.85 ALDH1A1 (0.50) GLSCA1CA2RPS6KA2CASP3
SCHEMBL3757316 0.76 GLS (0.49) GLSCA1CA2CASP3CA4
SCHEMBL4449242 0.75 ACHE (0.48) KMT2ASMN1; SMN2
SCHEMBL528526 0.74 NPSR1 (0.44) RPS6KA2ACLYAPLNRMAPK1KMT2A
SCHEMBL12128890 0.74 GLS (0.53) GLSCA1CA2CASP3CREBBP
SCHEMBL18605556 0.73 GLS (0.42) GLSCA1CA2CASP3CA4
SCHEMBL3114038 0.73 SLC22A12 (0.44) GLSCASP3ACLYAPLNRPOLB
SCHEMBL20111946 0.73 CASP3 (0.47) GLSCA1CA2CASP3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238119-B1 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2015-11-25 EP disclosed
US-8530486-B2 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2013-09-10 US disclosed
US-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-11-25 US disclosed
EP-2077263-A1 Quinazolines and related heterocyclic compounds and their therapeutic use Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-07-08 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 (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-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use RXFP3, RXFP1, NR1I3 GLS 1319/4885CA1 1433/4885CA2 879/4885

“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.