SCHEMBL6791698

SCHEMBL6791698

NC(=NC(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6649650 1.00 POLB (0.49) POLBMAPK1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL17008170 0.90 POLB (0.52) POLBMAPK1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL7765045 0.78 TPH1 (0.53) MAPTNPC1RAB9A
SCHEMBL20017352 0.78 MEN1 (0.50) POLBSMN1; SMN2CYP2C19MAPTCYP3A4
SCHEMBL17504830 0.76 MAPT (0.54) POLBSMN1; SMN2ALDH1A1CYP2C19MAPT
SCHEMBL15599673 0.76 MAPT (0.54) POLBSMN1; SMN2ALDH1A1CYP2C19MAPT
SCHEMBL828587 0.76 TPH1 (0.55) POLBCYP2C19MAPTCYP3A4PARP1
SCHEMBL12118130 0.75 NPC1 (0.50) POLBSMN1; SMN2MAPTCYP3A4TSHR
SCHEMBL27489015 0.74 TPH1 (0.53) POLBCYP2C19MAPTCYP3A4PARP1
Hydrochloric Acid SCHEMBL27296270 0.74 TPH1 (0.53) POLBCYP2C19MAPTCYP3A4PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG POLB 1848/4885MAPK1 1730/4885SMN1; SMN2 4186/4885

“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.