SCHEMBL13100486

SCHEMBL13100486

CCCCn1c(-c2ccc(Oc3cccc(Cl)c3)cc2)nc2c(OCCCN3CCCC3)cc(OCCN3CCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.46
HRH3 Q9Y5N1 8/20 0.46
AVPR1B P47901 4/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1283325 0.98 AGER (0.45) AGERHRH3AVPR1BLMNAMAPK1
SCHEMBL1283060 0.91 AGER (0.47) AGERAVPR1BKDM4ESLC6A4
SCHEMBL1282841 0.89 LTA4H (0.42) AGERHRH3AVPR1BLMNAMAPK1
SCHEMBL1283315 0.88 BACE1 (0.43) AGERHRH3AVPR1BLMNAMAPK1
SCHEMBL1283298 0.88 ESR1 (0.49) AGERHRH3AVPR1BLMNAMAPK1
SCHEMBL1283851 0.87 KDM4E (0.43) AGERAVPR1BSMN1; SMN2KDM4E
SCHEMBL1615422 0.86 MCHR1 (0.47) LMNASMN1; SMN2KDM4E
SCHEMBL1283955 0.85 KDM4E (0.49) AGERHRH3SMN1; SMN2KDM4E
SCHEMBL1283478 0.85 KDM4E (0.45) HRH3AVPR1BSMN1; SMN2KDM4E
SCHEMBL1283931 0.85 AGER (0.43) AGERAVPR1BSMN1; SMN2KDM4E

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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885HRH3 1265/4885AVPR1B 1903/4885

“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.