SCHEMBL7101603

SCHEMBL7101603

O=C(Nc1cccc(Cc2c[nH]cn2)c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL7103525 0.82 PARP1 (0.43) PARP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7097367 0.81 PARP1 (0.53) PARP1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7097614 0.80 PARP1 (0.55) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7098159 0.80 ADRA2A (0.45) PARP1
SCHEMBL7097234 0.79 PARP1 (0.41) PARP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7103005 0.78 MGLL (0.44) PARP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28827289 0.77 ADRA2A (0.36) PARP1
SCHEMBL5612868 0.75 ADRA1A (0.59) PARP1L3MBTL1NPC1RAB9AMAPT
SCHEMBL14041043 0.74 L3MBTL1 (0.61) PARP1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL28182250 0.74 PDK1 (0.71) PARP1L3MBTL1HDAC3HDAC4HDAC1

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 3891/4885L3MBTL1 1949/4885HDAC3 576/4885

“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.