SCHEMBL2077922

SCHEMBL2077922

O=C1c2ccccc2-c2c1cccc2-c1ccc(F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
MAOA P21397 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BCL2 P10415 1/20 0.41
ALOX12 P18054 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
DAPK1 P53355 1/20 0.41
MCL1 Q07820 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
SCHEMBL1758596 0.76 ADORA1 (0.59) ADORA2A
SCHEMBL19001856 0.73 L3MBTL1 (0.52) KEAP1NFE2L2MAPTALDH1A1MEN1
SCHEMBL16491897 0.73 MEN1 (0.55) KEAP1NFE2L2MAPTALDH1A1MEN1
SCHEMBL2078903 0.73 ADORA1 (0.53) KEAP1NFE2L2MAPTALDH1A1MEN1
SCHEMBL15413345 0.72 ELANE (0.47) ALDH1A1MEN1KMT2ACYP3A4ELANE
SCHEMBL17038530 0.72 L3MBTL1 (0.49) MAPTCYP3A4MAOACYP2A6CYP2B6
SCHEMBL2076411 0.72 CA12 (0.48) CYP2A6NPC1RAB9A
SCHEMBL2079150 0.71 CNR2 (0.63) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3795301 0.71 CYP2A6 (0.38) CYP3A4CYP2A6CYP2B6CYP2C19DHODH
SCHEMBL30240830 0.70 DHODH (0.58) ALDH1A1KMT2ASMN1; SMN2CYP3A4ALOX15

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 KEAP1 602/4885NFE2L2 943/4885MAPT 1323/4885

“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.