SCHEMBL5577336

SCHEMBL5577336

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
PTBP1 P26599 1/20 0.51
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
PPARG P37231 1/20 0.49
CCR3 P51677 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
EPHX2 P34913 1/20 0.48
MCHR1 Q99705 2/20 0.48
NAMPT P43490 2/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47

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 0.95 TSHR (0.56) ALDH1A1PTBP1TSHRKMT2APOLB
SCHEMBL5577471 0.92 MEN1 (0.58) ALDH1A1PTBP1TSHRKMT2APOLB
SCHEMBL5577355 0.91 CCR5 (0.54) ALDH1A1PTBP1TSHRKMT2APOLB
SCHEMBL5577541 0.90 PTBP1 (0.50) ALDH1A1PTBP1TSHRKMT2APOLB
SCHEMBL5577498 0.86 DRD2 (0.53) ALDH1A1PTBP1KMT2APOLBMEN1
SCHEMBL5577516 0.85 ALDH1A1 (0.66) ALDH1A1KMT2APOLBCCR3GAA
SCHEMBL5577770 0.84 MEN1 (0.53) ALDH1A1PTBP1TSHRKMT2APOLB
SCHEMBL5577301 0.83 ALDH1A1 (0.51) ALDH1A1PTBP1KMT2APOLBMEN1
SCHEMBL5577635 0.83 TSHR (0.71) ALDH1A1TSHRKMT2AMEN1EPHX2
SCHEMBL5577613 0.83 MEN1 (0.53) ALDH1A1PTBP1TSHRKMT2APOLB

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 ALDH1A1 1147/4885PTBP1 1360/4885TSHR 4205/4885

“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.