SCHEMBL5169770

SCHEMBL5169770

O=C(O)c1cn(-c2ccc(Cl)cc2)c(CNCc2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
VNN1 O95497 1/20 0.40
TP53 P04637 2/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4887399 0.86 MEN1 (0.45) MEN1KMT2AATMSMN1; SMN2TP53
SCHEMBL5172126 0.80 CCNE1 (0.43) ALDH1A1KDM4EPOLBRAB9AHTT
SCHEMBL4894803 0.78 POLB (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL5171381 0.77 MAPT (0.47) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL5169774 0.77 KMT2A (0.45) MEN1KMT2AATMPTPN1
SCHEMBL2683055 0.73 HTR2A (0.50) SMN1; SMN2
SCHEMBL1079580 0.72 HTR2A (0.49) SMN1; SMN2
SCHEMBL4888122 0.71 GABRA2 (0.61) KMT2AKDM4ERAB9A
SCHEMBL14022800 0.71 GPBAR1 (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27739164 0.69 GABRA2 (0.51) SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
EP-1723120-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2007-09-26 EP disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
EP-1723120-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087748-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (2 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 ALDH1A1 3706/4885MEN1 3147/4885KMT2A 3236/4885
US-20070197619-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 ALDH1A1 3706/4885MEN1 3147/4885KMT2A 3236/4885

“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.