SCHEMBL5577541

SCHEMBL5577541

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(SC)cc4)cc3)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTBP1 P26599 1/20 0.50
TSHR P16473 1/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
LMNA P02545 2/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MCHR1 Q99705 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5577337 0.93 TSHR (0.56) PTBP1TSHRPOLBALDH1A1TDP1
SCHEMBL5577414 0.91 CHRM3 (0.48) PTBP1POLBALDH1A1TDP1KMT2A
SCHEMBL5577471 0.91 MEN1 (0.58) PTBP1TSHRPOLBALDH1A1TDP1
SCHEMBL5577336 0.90 ALDH1A1 (0.54) PTBP1TSHRPOLBALDH1A1TDP1
SCHEMBL5577355 0.90 CCR5 (0.54) PTBP1TSHRPOLBALDH1A1TDP1
SCHEMBL5577348 0.86 KMT2A (0.56) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL5577498 0.85 DRD2 (0.53) PTBP1POLBALDH1A1TDP1KMT2A
SCHEMBL5577786 0.84 MEN1 (0.50) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL5577770 0.83 MEN1 (0.53) PTBP1TSHRPOLBALDH1A1TDP1
SCHEMBL5577301 0.82 ALDH1A1 (0.51) PTBP1POLBALDH1A1TDP1KMT2A

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C PTBP1 1360/4885TSHR 4205/4885POLB 3375/4885

“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.