SCHEMBL3791966

SCHEMBL3791966

Nc1ccc(-c2cnc3ccccc3n2)c2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
BCHE P06276 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MAPK10 P53779 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3791964 0.82 ALDH1A1 (0.39) ACHEBCHEALDH1A1MAPTMAPK10
SCHEMBL4071981 0.80 NPC1 (0.44) BCHEALDH1A1MAPTMAPK10MEN1
SCHEMBL3802179 0.80 TDP2 (0.46) ACHEBCHEMAPTMEN1KMT2A
SCHEMBL27658459 0.73 NPC1 (0.51) ACHEBCHEALDH1A1MAPTMAPK10
SCHEMBL6291686 0.73 NPC1 (0.53) BCHEALDH1A1MAPTMAPK10MEN1
SCHEMBL9841135 0.69 PGR (0.40) ACHEBCHEALDH1A1MAPTKMT2A
SCHEMBL27097746 0.69 ALDH1A1 (0.43) BCHEALDH1A1MAPTMAPK10MEN1
SCHEMBL3795700 0.69 AXL (0.48)
SCHEMBL16276011 0.67 ALDH1A1 (0.47) ACHEBCHEALDH1A1MAPTMEN1
SCHEMBL27097681 0.66 ALDH1A1 (0.43) BCHEALDH1A1MAPTMAPK10MEN1

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 ACHE 4827/4885BCHE 4789/4885ALDH1A1 2540/4885

“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.