SCHEMBL5577295

SCHEMBL5577295

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CCR5 P51681 2/20 0.49
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
CHRM3 P20309 1/20 0.48
MCHR1 Q99705 1/20 0.47
ROCK2 O75116 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL5577672 0.93 KMT2A (0.51) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL5577332 0.92 KMT2A (0.48) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5577348 0.91 KMT2A (0.56) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5577392 0.90 ALDH1A1 (0.62) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5577427 0.90 ACKR3 (0.55) KMT2AALDH1A1POLBGAACHRM3
SCHEMBL5577685 0.90 KMT2A (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5577288 0.90 CHRM3 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL5577724 0.88 ACKR3 (0.50) LMNAMEN1KMT2AALDH1A1CCR5
SCHEMBL5577786 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1POLBACHE
SCHEMBL5577402 0.88 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1ACHE

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 SMN1; SMN2 2012/4885LMNA 4819/4885MEN1 748/4885

“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.