SCHEMBL5577634

SCHEMBL5577634

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(Cl)c(C)c4)cc3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CCR3 P51677 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MCHR1 Q99705 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
CCR5 P51681 2/20 0.48
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KCNH2 Q12809 1/20 0.46
WDR5 P61964 1/20 0.46

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
SCHEMBL5577417 0.91 NR1H4 (0.58) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL5577714 0.90 NR1H4 (0.53) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL14586598 0.89 LMNA (0.55) LMNASMN1; SMN2ALDH1A1MCHR1POLB
Hydrochloric Acid SCHEMBL5577422 0.88 LMNA (0.54) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL5577534 0.88 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL5577415 0.88 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL5577463 0.87 MCHR1 (0.61) LMNASMN1; SMN2MCHR1CCR5ACHE
SCHEMBL5577594 0.86 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1MCHR1POLB
SCHEMBL5577836 0.86 TSHR (0.59) LMNACCR3SMN1; SMN2ALDH1A1MCHR1
SCHEMBL5577808 0.86 CCR5 (0.51) LMNASMN1; SMN2ALDH1A1MCHR1POLB

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 LMNA 4819/4885CCR3 120/4885SMN1; 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.