SCHEMBL3539299

SCHEMBL3539299

N=C(NOC=O)Nc1nc2c(s1)CCCC2Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.34
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
ADRB3 P13945 2/20 0.34
TGM2 P21980 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MEN1 O00255 2/20 0.33

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 SCHEMBL3539296 0.85 ALDH1A1 (0.37) ALDH1A1POLBRAB9AMAPTNPC1
SCHEMBL13314775 0.84 PSEN1 (0.39) ALDH1A1POLBRAB9AMAPTNPC1
SCHEMBL3538635 0.84 PSEN1 (0.39) ALDH1A1POLBRAB9AMAPTNPC1
SCHEMBL3537259 0.83 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3542177 0.82 NPC1 (0.30) RAB9ANPC1
SCHEMBL3539458 0.75 PARP1 (0.33) POLBMAPTLMNATP53
SCHEMBL3536181 0.74 PSEN1 (0.32) RAB9ANPC1PSEN1PSEN2APH1B
Formic Acid SCHEMBL3544409 0.68 F2 (0.41) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Formic Acid SCHEMBL3537253 0.68 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3535201 0.67 ALDH1A1 (0.36) ALDH1A1POLBRAB9AMAPTNPC1

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 1895/4885POLB 3270/4885RAB9A 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.