SCHEMBL4586512

SCHEMBL4586512

O=C(Nc1ccccc1N1CCCCC1)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.62
ATM Q13315 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
GLA P06280 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TSHR P16473 2/20 0.62
USP2 O75604 1/20 0.62
HTT P42858 1/20 0.62
GPR55 Q9Y2T6 1/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIM1 P11309 1/20 0.53
PIM3 Q86V86 1/20 0.53

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
SCHEMBL4585579 0.88 ALDH1A1 (0.59) NPSR1L3MBTL1ALDH1A1TSHRHTT
SCHEMBL4593847 0.81 MAPT (0.51) ALDH1A1HTT
SCHEMBL4586925 0.78 MAPT (0.56) ALDH1A1HTT
SCHEMBL13167000 0.78 NPSR1 (0.73) NPSR1ATML3MBTL1GLAALDH1A1
SCHEMBL4592950 0.77 MAPT (0.46) ALDH1A1HTT
SCHEMBL4878832 0.77 HTT (0.61) ALDH1A1HTTGAA
SCHEMBL4585545 0.76 CYP3A4 (0.49) ALDH1A1HTTMEN1KMT2A
SCHEMBL4593857 0.76 CYP1A2 (0.62) ALDH1A1HTT
SCHEMBL4585595 0.76 HTT (0.61) ALDH1A1HTT
SCHEMBL4585958 0.76 ALDH1A1 (0.60) ALDH1A1HTTMAPK1

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
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
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 claimed
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 claimed
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 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 NPSR1 1413/4885ATM 3226/4885L3MBTL1 2501/4885

“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.