SCHEMBL3791964

SCHEMBL3791964

NC(=O)c1ccc(-c2cnc3ccccc3n2)c2c1Cc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TRPA1 O75762 1/20 0.37
PARP1 P09874 5/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
BCHE P06276 2/20 0.35
HTR2B P41595 2/20 0.35
HTR7 P34969 1/20 0.35
PTK2 Q05397 1/20 0.34
ACHE P22303 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3802177 0.82 HSP90AA1 (0.46) HSP90AA1
SCHEMBL3791966 0.82 ACHE (0.41) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL30754251 0.77 BCAT2 (0.51) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL4071981 0.76 NPC1 (0.44) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL14880029 0.73 HTR2B (0.43) ALDH1A1MAPTMEN1KMT2AHSP90AA1
SCHEMBL3795698 0.72 CDK8 (0.49) HSP90AA1ALOX5APFEN1
SCHEMBL3800139 0.69 CNR2 (0.52) ALDH1A1RAB9A
SCHEMBL3797962 0.69 KDM4E (0.43) ALDH1A1MAPTALOX12TRPA1PARP1
SCHEMBL3797711 0.68 SLC22A12 (0.40) TRPA1HCRTR1HCRTR2HTR2BHTR7
SCHEMBL27915385 0.67 ALDH1A1 (0.54) ALDH1A1MAPTMEN1ALOX12MAPK10

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US claimed

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 ALDH1A1 2540/4885MAPT 1323/4885MEN1 4510/4885

“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.