SCHEMBL5577672

SCHEMBL5577672

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CCR3 P51677 1/20 0.50
CCR5 P51681 4/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM3 P20309 1/20 0.46
ACKR3 P25106 3/20 0.46
POLB P06746 1/20 0.46
CXCR3 P49682 1/20 0.46
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ROCK2 O75116 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
SCHEMBL5577295 0.93 SMN1; SMN2 (0.53) KMT2AMEN1CCR5LMNASMN1; SMN2
SCHEMBL5577288 0.89 CHRM3 (0.56) KMT2AMEN1SMN1; SMN2CHRM3ACKR3
SCHEMBL5577693 0.88 CHRM3 (0.54) KMT2AMEN1CHRM3ACKR3CXCR3
SCHEMBL5577652 0.88 CCR5 (0.63) KMT2ACCR3CCR5LMNASMN1; SMN2
SCHEMBL5577379 0.88 CCR3 (0.53) CCR3CCR5LMNASMN1; SMN2CHRM3
SCHEMBL5577572 0.88 CHRM3 (0.54) KMT2AMEN1CCR3CCR5LMNA
SCHEMBL5577332 0.88 KMT2A (0.48) KMT2AMEN1CCR5LMNASMN1; SMN2
SCHEMBL5577427 0.88 ACKR3 (0.55) KMT2ACHRM3ACKR3POLBCXCR3
SCHEMBL5577685 0.88 KMT2A (0.46) KMT2AMEN1CCR5LMNASMN1; SMN2
SCHEMBL5577402 0.87 MEN1 (0.56) KMT2AMEN1LMNASIGMAR1

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 KMT2A 3527/4885MEN1 748/4885CCR3 120/4885

“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.