SCHEMBL5577620

SCHEMBL5577620

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
TSHR P16473 2/20 0.59
TP53 P04637 1/20 0.59
CHRM3 P20309 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
HDAC1 Q13547 1/20 0.54
DRD4 P21917 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HTR1A P08908 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL5577777 0.91 HSD17B10 (0.61) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577492 0.91 HSD17B10 (0.66) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577261 0.89 LMNA (0.51) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577787 0.89 HSD17B10 (0.58) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577513 0.89 HSD17B10 (0.58) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577661 0.89 ALDH1A1 (0.59) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577625 0.88 LMNA (0.61) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577269 0.88 ALDH1A1 (0.53) HSD17B10KMT2AMAPTKDM4ETSHR
SCHEMBL5577761 0.88 CHRM3 (0.58) HSD17B10MAPTKDM4ETSHRTP53
SCHEMBL5577449 0.88 CHRM3 (0.61) HSD17B10KMT2AMAPTKDM4ETSHR

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 HSD17B10 4005/4885KMT2A 3527/4885MAPT 449/4885

“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.