SCHEMBL4585398

SCHEMBL4585398

O=C(Cl)c1cccc2sc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
MCL1 Q07820 3/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 4/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9291222 0.88 MAOB (0.49) GPR3MCL1ALDH1A1ALOX15CNR2
SCHEMBL11812063 0.86 GPR3 (0.42) GPR3MCL1ALDH1A1ALOX15CNR2
SCHEMBL4587587 0.84 PRNP (0.51) GPR3MCL1ALDH1A1ALOX15CNR2
SCHEMBL29450544 0.84 PRNP (0.51) GPR3MCL1ALDH1A1ALOX15CNR2
SCHEMBL7115218 0.82 LIMK1 (0.50) GPR3MCL1ALDH1A1CNR2CNR1
SCHEMBL11398888 0.82 GPR3 (0.45) GPR3MCL1ALDH1A1CNR2CNR1
SCHEMBL7817902 0.81 OGG1 (0.53) GPR3ALDH1A1ALOX15CNR2CNR1
Hydrochloric Acid SCHEMBL7420697 0.81 LIMK1 (0.49) GPR3MCL1ALDH1A1CNR2CNR1
SCHEMBL1576800 0.79 AKR1C3 (0.47) GPR3MCL1ALDH1A1CNR2CNR1
SCHEMBL28465502 0.78 GABRA1 (0.56) ALDH1A1MEN1MAPTKMT2ARXFP1

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 GPR3 861/4885MCL1 43/4885ALDH1A1 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.