SCHEMBL13100458

SCHEMBL13100458

[C-]#[N+]c1ccc(-c2ccc(Oc3cccc(-c4nc5ccc(OCCN6CCNCC6)cc5n4CCCC)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
ESR1 P03372 1/20 0.38
AVPR1B P47901 8/20 0.38
PDE2A O00408 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIN1 Q13526 1/20 0.37
TP53 P04637 1/20 0.37
MCHR1 Q99705 1/20 0.36
JAK2 O60674 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL1283434 0.92 ESR1 (0.44) SLC6A4ESR1AVPR1BPDE2APIN1
SCHEMBL1283549 0.91 SLC6A4 (0.46) SLC6A4ESR1AVPR1BPDE2ATLR7
SCHEMBL1283704 0.91 ESR1 (0.46) SLC6A4ESR1AVPR1BPDE2APIN1
SCHEMBL1283537 0.89 ESR1 (0.45) ESR1AVPR1BPDE2ATP53JAK2
SCHEMBL1282978 0.89 SLC6A4 (0.49) SLC6A4ESR1PDE2APIN1MCHR1
SCHEMBL1283032 0.88 SLC6A4 (0.50) SLC6A4ESR1AVPR1BPDE2ATLR7
SCHEMBL1283413 0.88 SLC6A4 (0.42) SLC6A4ESR1AVPR1BPDE2ATLR7
SCHEMBL1282779 0.88 ESR1 (0.42) SLC6A4ESR1AVPR1BPDE2ATLR7
SCHEMBL1283287 0.87 ESR1 (0.49) ESR1AVPR1BPDE2APIN1MCHR1
SCHEMBL1283416 0.86 SLC6A4 (0.41) SLC6A4ESR1AVPR1BPDE2ATLR7

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 6 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-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (3 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 SLC6A4 3560/4885ESR1 144/4885AVPR1B 1903/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SLC6A4 3548/4885ESR1 133/4885AVPR1B 1841/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SLC6A4 3548/4885ESR1 133/4885AVPR1B 1841/4885

“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.