SCHEMBL3057747

SCHEMBL3057747

C[C@H](CCCCC(=O)O)Oc1ncnc2sc(-c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
ALDH1A1 P00352 8/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 10/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NOD2 Q9HC29 1/20 0.53
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.45
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
EGFR P00533 2/20 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
SCHEMBL13087362 0.89 POLB (0.51) POLBALDH1A1HPGDRAB9ANPC1
SCHEMBL3053647 0.78 MCL1 (0.39) POLB
SCHEMBL3049690 0.74 MCL1 (0.43) ALDH1A1KMT2AMEN1MAPT
SCHEMBL3053722 0.74 MCL1 (0.46)
SCHEMBL2180434 0.71 CHEK1 (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL2178672 0.70 EGFR (0.44) EGFR
SCHEMBL3072266 0.69 CHEK1 (0.39) EGFR
SCHEMBL13087364 0.68 MCL1 (0.36) POLB
SCHEMBL3072332 0.68 AURKA (0.39) EGFR
SCHEMBL3052791 0.67 KDM4E (0.68) POLBALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 POLB 1155/4885ALDH1A1 1360/4885HPGD 467/4885

“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.