SCHEMBL5577396

SCHEMBL5577396

COc1ccc(C(=O)NCc2ccc(C3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
USP5 P45974 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
PRKAA2 P54646 2/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
CHRM4 P08173 1/20 0.50
ACKR3 P25106 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
HDAC1 Q13547 1/20 0.49
MCHR1 Q99705 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL5577635 0.92 TSHR (0.71) TSHRUSP5SMN1; SMN2CHRM4ACKR3
SCHEMBL5577675 0.88 TSHR (0.66) TSHRSMN1; SMN2CHRM4ACKR3KDM4E
SCHEMBL5577832 0.88 TSHR (0.66) TSHRSMN1; SMN2CHRM4ACKR3KDM4E
SCHEMBL5577475 0.86 TSHR (0.62) TSHRUSP5SMN1; SMN2CHRM4ACKR3
SCHEMBL5577592 0.85 TSHR (0.61) TSHRSMN1; SMN2PRKAA2PRKAB2PRKAG1
SCHEMBL5577836 0.84 TSHR (0.59) TSHRSMN1; SMN2ACKR3MEN1KMT2A
SCHEMBL5577337 0.81 TSHR (0.56) TSHRUSP5SMN1; SMN2MEN1KMT2A
SCHEMBL5577622 0.81 MEN1 (0.60) TSHRUSP5MEN1KMT2AHDAC1
SCHEMBL5577727 0.79 DRD2 (0.56) USP5PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL5577499 0.78 CHRM3 (0.58) TSHRSMN1; SMN2CHRM4ACKR3MEN1

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 TSHR 4205/4885USP5 3307/4885SMN1; SMN2 2012/4885

“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.