SCHEMBL3772043

SCHEMBL3772043

CN1C(=O)C(=O)c2cccc(I)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
POLB P06746 1/20 0.65
CASP3 P42574 5/20 0.52
CES1 P23141 5/20 0.50
TTR P02766 1/20 0.50
MAPT P10636 5/20 0.37
CASP7 P55210 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL12536125 0.78 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL11200942 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL29785238 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL30291060 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL3775352 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL3778381 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL2816698 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL9175289 0.77 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL11201120 0.74 KMT2A (0.61) ALDH1A1KMT2AMEN1POLBCASP3
SCHEMBL22300696 0.73 MAOA (0.38) ALDH1A1KMT2AMEN1POLBCASP3

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-8552053-B2 7-substituted indirubin-3′oximes and their applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-10-08 US disclosed
US-20100331327-A1 7-SUBSTITUTED INDIRUBIN-3'OXIMES AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-12-30 US disclosed
EP-1963264-A2 NEW 3 -, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-09-03 EP disclosed
WO-2007099402-A2 NEW 3’-, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-09-07 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 (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-20100331327-A1 7-SUBSTITUTED INDIRUBIN-3'OXIMES AND THEIR APPLICATIONS UGT2B7, CYP3A7, CYP2E1 ALDH1A1 310/4885KMT2A 2644/4885MEN1 3520/4885

“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.