SCHEMBL5577475

SCHEMBL5577475

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.52
CHRM4 P08173 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
ACKR3 P25106 1/20 0.50
HDAC1 Q13547 2/20 0.49
MCHR1 Q99705 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CCR5 P51681 1/20 0.49
LMNA P02545 2/20 0.48
CHRM3 P20309 1/20 0.48
USP5 P45974 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.48
NPC1 O15118 1/20 0.48
EPHX2 P34913 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 0.93 TSHR (0.71) TSHRSMN1; SMN2CHRM4KDM4EMEN1
SCHEMBL5577876 0.89 ALDH1A1 (0.65) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL5577675 0.89 TSHR (0.66) TSHRSMN1; SMN2CHRM4KDM4EMEN1
SCHEMBL5577832 0.89 TSHR (0.66) TSHRSMN1; SMN2CHRM4KDM4EMEN1
SCHEMBL5577864 0.88 ALDH1A1 (0.52) CHRM4KDM4EMEN1KMT2AALDH1A1
SCHEMBL5577280 0.88 MEN1 (0.59) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL5577656 0.88 CCR5 (0.53) TSHRSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL5577696 0.86 CCR5 (0.54) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL5577396 0.86 TSHR (0.61) TSHRSMN1; SMN2CHRM4KDM4EMEN1
SCHEMBL5577592 0.86 TSHR (0.61) TSHRSMN1; SMN2CHRM4KDM4EMEN1

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 4205/4885SMN1; SMN2 2012/4885CHRM4 3794/4885

“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.