SCHEMBL4528516

SCHEMBL4528516

Cc1cccc(C(=O)N(C)C)c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KEAP1 Q14145 1/20 0.45
MYC P01106 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CXCR2 P25025 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
AKR1B10 O60218 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
SCHEMBL1810392 0.80 ESR1 (0.59) KMT2ASMN1; SMN2MEN1HPGDKDM4E
SCHEMBL4559654 0.80 KMT2A (0.49) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL30037151 0.79 KMT2A (0.59) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL354228 0.79 KMT2A (0.59) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL350506 0.79 ALDH1A1 (0.63) KMT2ASMN1; SMN2MEN1HPGDKDM4E
SCHEMBL12625964 0.78 ALDH1A1 (0.62) KMT2ASMN1; SMN2MEN1HPGDKDM4E
SCHEMBL4067363 0.78 HPGD (0.50) KMT2ASMN1; SMN2MEN1HPGDKDM4E
Hydrochloric Acid SCHEMBL1776796 0.78 KMT2A (0.58) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL6646866 0.77 KMT2A (0.53) KMT2ASMN1; SMN2MEN1HPGDKDM4E
SCHEMBL7899919 0.77 MEN1 (0.46) KMT2ASMN1; SMN2MEN1HPGDALDH1A1

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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 KMT2A 2013/4885SMN1; SMN2 4747/4885MEN1 4622/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KMT2A 2013/4885SMN1; SMN2 4747/4885MEN1 4622/4885

“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.