SCHEMBL5795140

SCHEMBL5795140

COC(=O)c1ncn(CCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 1/20 0.42
CNOT7 Q9UIV1 3/20 0.42
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL5794357 0.85 PKM (0.52) HTTALDH1A1KMT2ACNOT7
SCHEMBL3493323 0.78 PKM (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4638859 0.76 SMN1; SMN2 (0.43) KDM4EHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL20533782 0.75 KDM4E (0.47) KDM4EHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3495526 0.74 ALDH1A1 (0.40) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4150352 0.73 PKM (0.62) ALDH1A1SMN1; SMN2MMP2CYP1A2
SCHEMBL1774858 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2MMP2CYP1A2
SCHEMBL4150358 0.72 PKM (0.74) ALDH1A1SMN1; SMN2MMP2CYP1A2
Hydrochloric Acid SCHEMBL1774857 0.72 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTMMP2
SCHEMBL3496351 0.71 MAPK1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 KDM4E 2874/4885HTT 1680/4885L3MBTL1 3797/4885

“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.