SCHEMBL4585735

SCHEMBL4585735

Cc1ccccc1N(C)C(=O)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
KEAP1 Q14145 2/20 0.51
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
NSD2 O96028 1/20 0.45
EGFR P00533 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B1 P14061 2/20 0.45
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
HSD17B2 P37059 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
SCHEMBL20041120 0.78 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1HSD17B1HSD17B2
SCHEMBL4881092 0.76 MAPT (0.42) ALDH1A1MAPTLMNAKEAP1NPC1
SCHEMBL18365395 0.73 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B1HSD17B2
SCHEMBL8279098 0.72 ALDH1A1 (0.70) ALDH1A1MAPTLMNANPC1L3MBTL1
SCHEMBL4585596 0.71 ALDH1A1 (0.79) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL6545910 0.71 ALDH1A1 (0.64) ALDH1A1MAPTLMNAKEAP1NPC1
SCHEMBL3976848 0.71 SMN1; SMN2 (0.55) ALDH1A1MAPTLMNANPC1L3MBTL1
SCHEMBL29908547 0.71 SMN1; SMN2 (0.55) ALDH1A1MAPTLMNANPC1L3MBTL1
SCHEMBL12550525 0.71 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHSD17B1HSD17B2
SCHEMBL4585958 0.70 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMAPK1HTT

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 4 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 disclosed
EP-1804786-A4 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-01-02 EP disclosed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 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-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 ALDH1A1 1418/4885MAPT 3946/4885LMNA 1917/4885

“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.