SCHEMBL14383603

SCHEMBL14383603

[N-]=[N+]=NCCOCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 8/20 0.71
▸ HBB P68871 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ EDNRA P25101 1/20 0.71
▸ HTR2A P28223 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ HPRT1 P00492 5/20 0.67
▸ POLG P54098 2/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ VCP P55072 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL29370760 0.87 PNP (0.87) PNPHBBBLMUSP2TSHR
SCHEMBL572050 0.83 PNP (0.81) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL2269160 0.83 PNP (1.00) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL3664893 0.83 PNP (1.00) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL3175 0.83 PNP (1.00) PNPHBBBLMUSP2TSHR
SCHEMBL10421280 0.82 PNP (0.79) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL6239258 0.82 PNP (0.97) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL16060281 0.82 PNP (0.97) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL16061083 0.82 PNP (0.97) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL19031784 0.82 PNP (0.97) PNPHBBBLMUSP2TSHR

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-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 — — US disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 — — US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 — — US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 — — 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 PNP 360/4885HBB 1814/4885BLM 1546/4885

“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.

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