SCHEMBL2098282

SCHEMBL2098282

CN(C)c1ccc(N=Nc2ccc(C(=O)CCC(N)c3nc4c(OCc5ccc(CN)cc5)nc(N)nc4[nH]3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MPO P05164 1/20 0.30

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
SCHEMBL2101053 0.89 PIN1 (0.43) MPO
SCHEMBL2098277 0.82 NPC1 (0.31) NPC1KDM4EMAPK1MAPTRAB9A
SCHEMBL2097020 0.80 NPC1 (0.31) NPC1KDM4EMAPK1MAPTRAB9A
SCHEMBL2098275 0.77 HDAC1 (0.36) POLBKMT2A
SCHEMBL2098271 0.77 HDAC1 (0.36) POLBKMT2A
SCHEMBL2097018 0.73 MGMT (0.37) NPC1KDM4EMAPK1MAPTRAB9A
SCHEMBL2101050 0.71 PIN1 (0.43) MPO
SCHEMBL2098056 0.71 PIN1 (0.41)
SCHEMBL2097013 0.70 HDAC1 (0.41)
SCHEMBL2097015 0.70 HDAC1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP 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

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 NPC1 3880/4885KDM4E 3573/4885MAPK1 2145/4885

“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.