SCHEMBL7097367

SCHEMBL7097367

CCC(=O)Nc1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL7097614 0.90 PARP1 (0.55) PARP1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL7103525 0.86 PARP1 (0.43) PARP1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL7101603 0.81 PARP1 (0.54) PARP1RAB9AGAACYP2C19LMNA
SCHEMBL28827289 0.81 ADRA2A (0.36) PARP1
SCHEMBL7103005 0.79 MGLL (0.44) PARP1RAB9APOLBKMT2AMEN1
SCHEMBL5612868 0.79 ADRA1A (0.59) PARP1RAB9ACYP3A4CYP2D6CYP2C19
SCHEMBL7097234 0.78 PARP1 (0.41) PARP1RAB9AKMT2AMEN1LMNA
SCHEMBL7103193 0.77 PARP1 (0.48) PARP1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL12922745 0.77 L3MBTL1 (0.63) PARP1RAB9APOLBNR4A1GAA
SCHEMBL9410518 0.75 MAPT (0.69) RAB9APOLBNR4A1GAAKMT2A

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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A PARP1 3891/4885RAB9A 2084/4885POLB 4410/4885

“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.