SCHEMBL3535201

SCHEMBL3535201

N=C(NOC=O)Nc1nc2c(s1)CC(c1ccccc1)(c1ccccc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 6/20 0.34
TMIGD3 P0DMS9 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 5/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32
SLC27A1 Q6PCB7 1/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL3535197 0.84 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3537267 0.82 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3539323 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8281895 0.70 MAPT (0.47) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3537259 0.69 PSEN1 (0.49)
SCHEMBL3539288 0.69 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3539151 0.67 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13314825 0.67 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3537885 0.67 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3539299 0.67 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKMT2ASMN1; 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 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 ALDH1A1 1895/4885NPC1 3023/4885RAB9A 4051/4885

“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.