SCHEMBL4882682

SCHEMBL4882682

O=C(Nc1cccc2ccccc12)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL4587543 0.83 MAPT (0.49) MAPTALDH1A1HTTLMNA
SCHEMBL4878832 0.83 HTT (0.61) NPC1MAPTALDH1A1HTTLMNA
SCHEMBL13343403 0.82 GFER (0.53) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL4585958 0.82 ALDH1A1 (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4585595 0.82 HTT (0.61) MAPTALDH1A1HTTLMNA
SCHEMBL4593857 0.82 CYP1A2 (0.62) MAPTCYP1A2CYP2C19ALDH1A1HTT
SCHEMBL4586925 0.82 MAPT (0.56) MAPTALDH1A1HTTLMNA
SCHEMBL4586668 0.82 KMT2A (0.61) MAPTCYP1A2ALDH1A1HTTLMNA
SCHEMBL4586462 0.82 ALDH1A1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL21275460 0.80 RAB9A (0.76) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 US claimed
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 CHRNB2 4852/4885CHRNB4 4873/4885CHRNA3 4661/4885

“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.