SCHEMBL6989435

SCHEMBL6989435

COc1cccc(C2CCN(C(=O)c3nc4ccccc4nc3O)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.52
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
MYC P01106 1/20 0.47
APLNR P35414 5/20 0.47
RAB9A P51151 2/20 0.46
DRD2 P14416 2/20 0.46
USP30 Q70CQ3 1/20 0.45
MAPT P10636 2/20 0.44
HSD11B1 P28845 1/20 0.44
PDE4B Q07343 2/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6987239 0.87 PROKR1 (0.50) PROKR1UBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL6989447 0.84 HSD11B1 (0.53) LMNARAB9ADRD2MAPTHSD11B1
SCHEMBL6989129 0.79 EED (0.60) ALDH1A1LMNARAB9AMAPTNPC1
SCHEMBL6987231 0.78 PROKR1 (0.51) PROKR1LMNAAPLNRRAB9AMAPT
SCHEMBL8479964 0.78 PROKR1 (0.52) PROKR1ALDH1A1LMNAHPGDHIF1A
SCHEMBL7311598 0.75 DRD2 (0.59) PROKR1ALDH1A1LMNAMYCRAB9A
SCHEMBL14609431 0.75 PDE4B (0.60) PROKR1ALDH1A1LMNAMYCRAB9A
SCHEMBL14008939 0.75 DRD2 (0.53) PROKR1ALDH1A1LMNAHPGDHIF1A
SCHEMBL14590572 0.73 QDPR (0.61) PROKR1ALDH1A1LMNADRD2USP30
SCHEMBL2637036 0.73 DRD2 (0.59) PROKR1ALDH1A1LMNARAB9ADRD2

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 PROKR1 2426/4885UBE2M 4312/4885DCUN1D1 2941/4885

“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.