SCHEMBL6991670

SCHEMBL6991670

O=C(Cl)c1nc2ccccc2nc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PIM1 P11309 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 5/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MGAM O43451 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL42617 0.81 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2PIM1HPGD
SCHEMBL6992814 0.79 TDP1 (0.56) ALDH1A1MAPTSMN1; SMN2PIM1TDP1
SCHEMBL43146 0.79 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2PIM1TDP1
SCHEMBL47270 0.79 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2PIM1HPGD
SCHEMBL6387026 0.78 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
Bicarbonate SCHEMBL11185192 0.75 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2PIM1TDP1
SCHEMBL23308057 0.75 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2PIM1HPGD
SCHEMBL18680083 0.75 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2PIM1HPGD
SCHEMBL4099973 0.75 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HPGDHSD17B10
SCHEMBL382385 0.74 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2TDP1HPGD

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 ALDH1A1 1295/4885MAPT 2372/4885SMN1; SMN2 4592/4885

“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.