SCHEMBL3800136

SCHEMBL3800136

NC(=O)C1c2ccccc2-c2c(-c3ccc(N4CCOCC4)nc3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.55
NR3C1 P04150 2/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ATR Q13535 1/20 0.45
AOC3 Q16853 1/20 0.44
CYP11B2 P19099 1/20 0.44
JAK1 P23458 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL27755762 0.82 CNR2 (0.56) CNR2NR3C1BRD4CREBBPJAK1
SCHEMBL27776594 0.78 CNR2 (0.54) CNR2NR3C1BRD4CREBBPJAK1
SCHEMBL2169026 0.77 CNR2 (0.64) CNR2ATRALDH1A1
SCHEMBL2079150 0.76 CNR2 (0.63) CNR2BRD4CREBBPALDH1A1
SCHEMBL2079630 0.74 CNR2 (0.60) CNR2BRD4CREBBPATRALDH1A1
SCHEMBL2079633 0.74 CNR2 (0.60) CNR2BRD4CREBBPATRALDH1A1
SCHEMBL3800139 0.72 CNR2 (0.52) CNR2BRD4CREBBPATRAOC3
SCHEMBL29195938 0.72 CNR2 (0.64) CNR2BRD4CREBBPATR
SCHEMBL16773016 0.72 CNR2 (0.69) CNR2ATRALDH1A1
SCHEMBL2076573 0.72 HSP90AB1 (0.57) CNR2NR3C1BRD4CREBBPATR

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 CNR2 4210/4885NR3C1 2675/4885BRD4 2803/4885

“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.