SCHEMBL6991183

SCHEMBL6991183

CN(C(=O)c1nc2ccccc2nc1O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
PTAFR P25105 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL9523939 0.77 HPGD (0.48) HPGDTSHRPTAFRNPC1RAB9A
SCHEMBL3085598 0.76 HSP90AA1 (0.47) HPGDTSHRPTAFRNPC1RAB9A
SCHEMBL6991379 0.76 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2AHTT
SCHEMBL3456584 0.75 NPC1 (0.53) HPGDTSHRPTAFRNPC1RAB9A
SCHEMBL9001760 0.74 TSHR (0.79) HPGDTSHRNPC1RAB9APOLB
SCHEMBL1001922 0.72 HPGD (0.62) HPGDTSHRPTAFRNPC1RAB9A
SCHEMBL14374144 0.72 HPGD (0.62) HPGDTSHRPTAFRNPC1RAB9A
SCHEMBL16098855 0.72 HPGD (0.70) HPGDTSHRNPC1RAB9AATM
SCHEMBL3455670 0.72 HPGD (0.70) HPGDTSHRNPC1RAB9AATM
SCHEMBL4359670 0.71 HPGD (0.59) HPGDTSHRPTAFRNPC1RAB9A

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 HPGD 1888/4885TSHR 2979/4885PTAFR 492/4885

“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.