SCHEMBL7072944

SCHEMBL7072944

C=CCc1cc(-c2cccc(N)n2)c(C2CCC2)cc1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 13/20 0.37
ALOX5AP P20292 12/20 0.37
AKR1B1 P15121 1/20 0.36
HSD17B1 P14061 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL16241938 0.93 NOS1 (0.34) FEN1ALOX5APAKR1B1HSD17B1
SCHEMBL7078300 0.84 NOS1 (0.38) FEN1ALOX5AP
SCHEMBL218814 0.76 NOS3 (0.40) FEN1ALOX5AP
SCHEMBL6583707 0.75 FEN1 (0.43) FEN1ALOX5AP
SCHEMBL219308 0.75 NOS1 (0.55) GABRA1GABRB2
SCHEMBL419243 0.74 MEN1 (0.39) FEN1ALOX5AP
SCHEMBL8096636 0.73 GABRA1 (0.59) AKR1B1GABRA1GABRB2
SCHEMBL6582620 0.73 FEN1 (0.42) FEN1ALOX5AP
SCHEMBL6583994 0.70 NOS3 (0.41) FEN1ALOX5AP
SCHEMBL28743148 0.70 IKBKB (0.40) FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 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 (3 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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 FEN1 3241/4885ALOX5AP 1670/4885AKR1B1 988/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 FEN1 3816/4885ALOX5AP 251/4885AKR1B1 303/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 FEN1 4809/4885ALOX5AP 1604/4885AKR1B1 611/4885

“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.