SCHEMBL3539458

SCHEMBL3539458

CCC(C)C1CCCc2sc(NC(=N)NOC=O)nc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
RORC P51449 3/20 0.31
DHODH Q02127 3/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
XIAP P98170 2/20 0.31
LMNA P02545 1/20 0.30

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 SCHEMBL3539453 0.84 PARP1 (0.32) PARP1RORCDHODHMAPTTSHR
SCHEMBL3536160 0.83 TSHR (0.34) PARP1MAPTTSHRTP53
SCHEMBL3538767 0.82 PSEN1 (0.33) PARP1RORCDHODHMAPTTSHR
SCHEMBL3542177 0.78 NPC1 (0.30)
SCHEMBL3539299 0.75 ALDH1A1 (0.35) MAPTTP53POLBLMNA
SCHEMBL3536181 0.74 PSEN1 (0.32) TSHR
SCHEMBL13314778 0.67 PARP1 (0.45) PARP1DHODHMAPTTSHRTP53
Formic Acid SCHEMBL3538430 0.67 PARP1 (0.43) PARP1DHODHMAPTTSHRTP53
SCHEMBL3539844 0.66 PARP1 (0.44) PARP1DHODHMAPTTSHRPOLB
SCHEMBL13314787 0.66 PARP1 (0.44) PARP1DHODHMAPTTSHRPOLB

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 PARP1 2737/4885RORC 4183/4885DHODH 4042/4885

“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.