SCHEMBL1901244

SCHEMBL1901244

Nc1nc2c(c(=S)[nH]1)NCN2n1cnc2c(=S)[nH]c(N)nc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
Pyrimidine SCHEMBL28141456 0.73 XDH (0.36) ALDH1A1
SCHEMBL1445604 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9001851 0.68 XDH (0.37) ALDH1A1
SCHEMBL5607948 0.67 XDH (0.31) ALDH1A1
SCHEMBL27562476 0.65 XDH (0.42) ALDH1A1
SCHEMBL16769795 0.64 CDK2 (0.54) ALDH1A1
SCHEMBL29159183 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL22901881 0.64 PI4KA (0.47) ALDH1A1
SCHEMBL22381492 0.63 CDK1 (0.42) ALDH1A1
SCHEMBL1746164 0.63 TK1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 US 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-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885

“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.