SCHEMBL2605000

SCHEMBL2605000

[CH2+][N-]C(=O)c1cccc2ncc(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PARP1 P09874 7/20 0.40
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HSD17B10 Q99714 1/20 0.35
KDR P35968 2/20 0.34
TNKS2 Q9H2K2 1/20 0.34
RAD52 P43351 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
GRM5 P41594 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL2629409 0.81 ALDH1A1 (0.57) ALDH1A1PARP1MAPTCYP1A2CYP2C9
SCHEMBL2606617 0.80 PARP1 (0.59) PARP1PARP2
SCHEMBL2604995 0.80 ALDH1A1 (0.47) ALDH1A1PARP1MAPTCYP1A2CYP2C9
SCHEMBL19902966 0.78 PARP1 (0.41) ALDH1A1PARP1MAPTCYP1A2CYP2C9
SCHEMBL16572979 0.78 PLK1 (0.45) PARP1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14406054 0.77 P2RX7 (0.49) ALDH1A1PARP1MAPTCYP1A2CYP2C9
SCHEMBL2604997 0.76 MAPT (0.48) ALDH1A1PARP1MAPTHSD17B10KMT2A
SCHEMBL1041134 0.71 ACHE (0.57) ALDH1A1PARP1MAPTCYP1A2CYP2C9
SCHEMBL8404385 0.70 ADORA3 (0.44) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL13393526 0.69 ALDH1A1 (0.57) ALDH1A1PARP1MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 ALDH1A1 3050/4885PARP1 2606/4885MAPT 844/4885

“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.