SCHEMBL5577640

SCHEMBL5577640

COc1ccc(CN2CCC(c3ncsc3CNC(=O)c3cccc(Cl)c3C)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACKR3 P25106 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
CACNA1G O43497 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR3 P51677 1/20 0.41
ABCB1 P08183 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5577591 0.96 DRD4 (0.42) HTR4NPC1RAB9ASIGMAR1ACKR3
SCHEMBL5577431 0.88 MT-CO2 (0.46) HTR4SIGMAR1ACKR3CACNA1GALDH1A1
SCHEMBL5577778 0.86 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2ABCB1
SCHEMBL5577850 0.85 LMNA (0.45) HTR4NPC1RAB9ASIGMAR1ACKR3
SCHEMBL5577683 0.85 LMNA (0.49) SIGMAR1ACKR3ALDH1A1LMNASMN1; SMN2
SCHEMBL5577502 0.85 KDM4E (0.41) HTR4JAK1JAK3CACNA1GKDM4E
SCHEMBL5577587 0.84 MT-CO2 (0.45) HTR4RAB9ASIGMAR1ACKR3LMNA
SCHEMBL5577827 0.84 ALDH1A1 (0.42) KDM4EALDH1A1LMNASMN1; SMN2ABCB1
SCHEMBL5577633 0.83 JAK1 (0.43) HTR4NPC1RAB9ASIGMAR1ACKR3
SCHEMBL5577735 0.83 LMNA (0.46) NPC1RAB9ASIGMAR1ACKR3JAK1

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 1 patent. 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

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 HTR4 2137/4885NPC1 799/4885RAB9A 1953/4885

“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.