SCHEMBL1615094

SCHEMBL1615094

CCCCn1c(-c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)nc2ccc(OC3CCNCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
TP53 P04637 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MCHR1 Q99705 3/20 0.36
AVPR1B P47901 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
NPY1R P25929 2/20 0.35
BRD4 O60885 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
ACSL1 P33121 1/20 0.35
PDE6D O43924 1/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34

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
SCHEMBL1615301 0.92 MEN1 (0.42) SLC6A4TP53MEN1KMT2AMCHR1
SCHEMBL1283568 0.91 SLC6A4 (0.46) SLC6A4TP53MCHR1AVPR1BF2
SCHEMBL1283256 0.91 SLC6A4 (0.42) SLC6A4TP53MEN1KMT2AMCHR1
SCHEMBL1282689 0.90 SLC6A4 (0.43) SLC6A4TP53MEN1KMT2AMCHR1
SCHEMBL1283380 0.89 SLC6A4 (0.42) SLC6A4TP53MEN1KMT2AMCHR1
SCHEMBL1283103 0.88 TP53 (0.49) SLC6A4TP53MEN1KMT2AMCHR1
SCHEMBL1282751 0.84 KDM4E (0.45) SLC6A4TP53AVPR1BSMN1; SMN2HTR2C
SCHEMBL3555528 0.82 TP53 (0.44) SLC6A4TP53MEN1KMT2AGAA
SCHEMBL1283476 0.79 SLC6A4 (0.44) SLC6A4TP53MEN1KMT2AAVPR1B
SCHEMBL1283467 0.79 MEN1 (0.48) SLC6A4TP53MEN1KMT2AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
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
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 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-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-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-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
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 (4 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 3560/4885TP53 257/4885MEN1 1603/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SLC6A4 3548/4885TP53 238/4885MEN1 1633/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B SLC6A4 3548/4885TP53 238/4885MEN1 1633/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SLC6A4 3548/4885TP53 238/4885MEN1 1633/4885

“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.