SCHEMBL3555528

SCHEMBL3555528

[CH2]COc1ccc2nc(-c3cccc(Oc4cc(Cl)cc(Cl)c4)c3)n(CCCC)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
PPARG P37231 6/20 0.41
SLC6A4 P31645 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.39
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIN1 Q13526 1/20 0.36
LMNA P02545 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
SCHEMBL1614125 0.87 DRD3 (0.54) TP53KDM4E
SCHEMBL1283467 0.85 MEN1 (0.48) TP53SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL1282950 0.85 ESR1 (0.50)
SCHEMBL1283476 0.85 SLC6A4 (0.44) TP53SLC6A4MEN1KMT2AGAA
SCHEMBL1283515 0.85 DRD2 (0.40) TP53PPARGSLC6A4MEN1KMT2A
SCHEMBL13314048 0.85 DRD2 (0.40) TP53PPARGSLC6A4MEN1KMT2A
SCHEMBL1282751 0.84 KDM4E (0.45) TP53SLC6A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL1283380 0.84 SLC6A4 (0.42) TP53PPARGSLC6A4MEN1KMT2A
SCHEMBL1282876 0.84 AVPR1B (0.49) TP53KDM4ETSHR
SCHEMBL1283125 0.84 KMT2A (0.46) KMT2ASMN1; SMN2KDM4EALDH1A1NPSR1

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-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TP53 238/4885PPARG 905/4885SLC6A4 3548/4885

“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.