SCHEMBL1283103

SCHEMBL1283103

CCCCn1c(-c2cccc(Oc3ccc(OC)c(OC)c3)c2)nc2ccc(OC3CCNCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 1/20 0.37
ACSL1 P33121 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1615301 0.88 MEN1 (0.42) TP53GAASMN1; SMN2SLC6A4MEN1
SCHEMBL1615094 0.88 SLC6A4 (0.43) TP53GAASMN1; SMN2SLC6A4MEN1
SCHEMBL1283409 0.84 TP53 (0.47) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL1283568 0.79 SLC6A4 (0.46) TP53SLC6A4MCHR1F2F10
SCHEMBL1283256 0.79 SLC6A4 (0.42) TP53GAASMN1; SMN2SLC6A4MEN1
SCHEMBL1282689 0.78 SLC6A4 (0.43) TP53GAASMN1; SMN2ALDH1A1SLC6A4
SCHEMBL1283380 0.77 SLC6A4 (0.42) TP53SLC6A4MEN1KMT2AMCHR1
SCHEMBL1283549 0.75 SLC6A4 (0.46) TP53GAAKDM4EALDH1A1SLC6A4
SCHEMBL1283704 0.74 ESR1 (0.46) TP53GAAKDM4EALDH1A1SLC6A4
SCHEMBL1283537 0.73 ESR1 (0.45) TP53KDM4EALDH1A1MAPTHPGD

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 7 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-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 (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 TP53 257/4885GAA 1251/4885SMN1; SMN2 3545/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TP53 238/4885GAA 1346/4885SMN1; SMN2 3253/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B TP53 238/4885GAA 1346/4885SMN1; SMN2 3253/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TP53 238/4885GAA 1346/4885SMN1; SMN2 3253/4885

“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.