SCHEMBL7103525

SCHEMBL7103525

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MET P08581 2/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL7097367 0.86 PARP1 (0.53) PARP1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7103005 0.84 MGLL (0.44) PARP1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7097614 0.84 PARP1 (0.55) PARP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7097234 0.83 PARP1 (0.41) PARP1RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7101603 0.82 PARP1 (0.54) PARP1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28827289 0.82 ADRA2A (0.36) PARP1
SCHEMBL12256593 0.79 MTNR1A (0.56) ALDH1A1KDM4E
SCHEMBL7103193 0.78 PARP1 (0.48) PARP1SMN1; SMN2ALDH1A1CYP3A4DRD2
SCHEMBL2092346 0.78 SMN1; SMN2 (0.54) PARP1RAB9ASMN1; SMN2NPC1FAAH
SCHEMBL5612868 0.77 ADRA1A (0.59) PARP1RAB9ASMN1; SMN2NPC1ALDH1A1

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 2084/4885SMN1; SMN2 639/4885

“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.