SCHEMBL5577348

SCHEMBL5577348

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(SC)cc4)cc3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ABCB1 P08183 2/20 0.50
CCR5 P51681 2/20 0.49
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
MCHR1 Q99705 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
HDAC1 Q13547 1/20 0.47
TSHR P16473 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
SCHEMBL5577295 0.91 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL5577417 0.91 NR1H4 (0.58) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL5577594 0.90 ALDH1A1 (0.54) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL5577534 0.90 ALDH1A1 (0.54) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL5577836 0.90 TSHR (0.59) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL5577516 0.89 ALDH1A1 (0.66) KMT2AALDH1A1POLBGAALMNA
SCHEMBL14586598 0.89 LMNA (0.55) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL5577689 0.89 CCR5 (0.61) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL5577343 0.88 MEN1 (0.57) KMT2AMEN1ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL5577422 0.88 LMNA (0.54) ALDH1A1POLBGAALMNASMN1; SMN2

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 748/4885ALDH1A1 1147/4885

“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.