SCHEMBL5041568

SCHEMBL5041568

O=C(O)c1cnc(-c2ccc(O)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HSD17B1 P14061 3/20 0.53
HSD17B2 P37059 3/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 2/20 0.51
NCOA2 Q15596 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PTPN1 P18031 1/20 0.49
CYP1A2 P05177 2/20 0.48
HCAR2 Q8TDS4 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL1222603 0.85 ALDH1A1 (0.72) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16703334 0.84 PTPN11 (0.59) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL4283912 0.84 HCAR2 (0.55) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL27821864 0.84 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL1193921 0.84 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL3593476 0.82 CDC7 (0.63) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL14156945 0.81 KDM4E (0.55) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL23794761 0.80 HSD17B1 (0.62) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL1986146 0.80 HDAC1 (0.57) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31341283 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR SMN1; SMN2 4396/4885NPC1 426/4885RAB9A 2636/4885

“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.