SCHEMBL13100459

SCHEMBL13100459

CCCCn1c(-c2cccc(-c3cc(Cl)cc(Cl)c3)c2)nc2ccc(OCCN3CCN(CC)CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.45
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.42
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1283476 0.91 SLC6A4 (0.44) AVPR1BESR1TP53MAPK1MEN1
SCHEMBL1283467 0.86 MEN1 (0.48) AVPR1BESR1TP53MAPK1MEN1
SCHEMBL1282950 0.84 ESR1 (0.50) AVPR1BESR1HRH3
SCHEMBL1282751 0.83 KDM4E (0.45) AVPR1BESR1TP53MAPK1LMNA
SCHEMBL1282876 0.83 AVPR1B (0.49) AVPR1BTP53
SCHEMBL1615078 0.82 ESR1 (0.44) AVPR1BESR1TP53ALDH1A1SLC6A4
SCHEMBL1283537 0.81 ESR1 (0.45) AVPR1BESR1TP53ALDH1A1
SCHEMBL1283430 0.81 LTA4H (0.50) AVPR1BESR1TP53KMT2ALMNA
SCHEMBL1283032 0.80 SLC6A4 (0.50) AVPR1BESR1ALDH1A1SLC6A4
SCHEMBL1283726 0.79 ESR1 (0.50) AVPR1BESR1L3MBTL1

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 2 patents. 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
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 AVPR1B 1903/4885ESR1 144/4885TP53 257/4885

“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.