SCHEMBL2076567

SCHEMBL2076567

O=C1c2ccccc2-c2c1cccc2-c1cnc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
NPC1 O15118 10/20 0.43
RAB9A P51151 9/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
MAPK10 P53779 2/20 0.43
AHR P35869 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
BCHE P06276 1/20 0.42
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL2078302 0.79 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2078306 0.77 MEN1 (0.43) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL2078304 0.77 MEN1 (0.43) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL7168141 0.76 ALDH1A1 (0.49) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL2076411 0.75 CA12 (0.48) NPC1RAB9A
SCHEMBL23327149 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL4071981 0.73 NPC1 (0.44) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL29918043 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL2360700 0.73 HSP90AA1 (0.47) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
SCHEMBL2243516 0.73 KDM4E (0.52) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
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 disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 HSP90AA1 5/4885HSP90AB1 3/4885NPC1 694/4885

“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.