SCHEMBL4587085

SCHEMBL4587085

CN1CCN(Cc2ccccc2NC(=O)c2cccc3c2C(=O)c2ccccc2-3)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SUCNR1 Q9BXA5 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 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
SCHEMBL4586596 0.78 ALDH1A1 (0.58) MAPTALDH1A1HTT
SCHEMBL4586653 0.78 MAPT (0.52) MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4879920 0.77 MAPT (0.51) MAPTALDH1A1HTT
SCHEMBL4040332 0.75 HTR1A (0.53) SUCNR1HTT
SCHEMBL4585958 0.74 ALDH1A1 (0.60) MAPTALDH1A1HTT
SCHEMBL4878832 0.72 HTT (0.61) MAPTALDH1A1HTT
SCHEMBL4586512 0.72 NPSR1 (0.62) ALDH1A1HTT
SCHEMBL4586837 0.72 TSHR (0.58) MAPT
SCHEMBL4593857 0.71 CYP1A2 (0.62) MAPTALDH1A1HTT
SCHEMBL4585595 0.71 HTT (0.61) MAPTALDH1A1HTT

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 MAPT 3946/4885SUCNR1 439/4885ALDH1A1 1418/4885

“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.