SCHEMBL14488010

SCHEMBL14488010

CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)cc1.Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2)cs1.Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)s1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 10/20 0.35
POLB P06746 7/20 0.32
TP53 P04637 3/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PKM P14618 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL242291 0.85 CYP2C19 (0.56) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL242849 0.84 CYP2C19 (0.76) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL14488398 0.84 ADH5 (0.64) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL244136 0.83 CYP2C19 (0.58) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL246670 0.82 ADH5 (0.71) ADH5CYP2C19ALDH1A1MAPTPOLB
SCHEMBL243674 0.81 CYP2C19 (0.61) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL14488750 0.81 ADH5 (0.52) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL243796 0.81 CYP2C19 (0.72) ADH5CYP2C19ALDH1A1ATMMAPT
N6022 SCHEMBL29502874 0.80 ADH5 (1.00) ADH5CYP2C19MAPTPOLBTP53
N6022 SCHEMBL244480 0.80 ADH5 (1.00) ADH5CYP2C19MAPTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-05-15 US disclosed
WO-2013006658-A1 TREATMENT OF ACETAMINOPHEN-INDUCED LIVER DAMAGE BY THE ADMINISTRATION OF MODULATORS OF NITRIC OXIDE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-10 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-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide OAT, NOS2, NOS3 ADH5 172/4885CYP2C19 116/4885ALDH1A1 148/4885

“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.