SCHEMBL3539288

SCHEMBL3539288

N=C(NOC=O)Nc1nc2c(s1)CC(c1cccs1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 5/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 7/20 0.37
HTT P42858 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
PTBP1 P26599 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 10/20 0.37
TSHR P16473 2/20 0.37
APOBEC3A P31941 1/20 0.36

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
Formic Acid SCHEMBL3539285 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3536735 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3539151 0.80 MAPT (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3535201 0.69 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3537259 0.67 PSEN1 (0.49)
SCHEMBL13314768 0.67 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3536226 0.67 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
Formic Acid SCHEMBL3542530 0.67 MAPT (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
Formic Acid SCHEMBL3537417 0.66 LMNA (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
Formic Acid SCHEMBL3535992 0.66 MAPT (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 NPC1 3023/4885RAB9A 4051/4885SMN1; SMN2 399/4885

“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.