SCHEMBL21153553

SCHEMBL21153553

O=c1[nH]c(CC2=CCCC2)nc2sc(C(O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
TMIGD3 P0DMS9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PARP1 P09874 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADORA1 P30542 1/20 0.31

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
SCHEMBL3491807 0.82 PDE5A (0.56) PDE5ASMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL3494101 0.79 PDE5A (0.55) PDE5ASMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL4510358 0.77 PDE5A (0.44) PDE5ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3491566 0.70 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1RAB9AMEN1NPC1
SCHEMBL16175565 0.68 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ABRD4
SCHEMBL4521870 0.67 KMT2A (0.58) ALDH1A1RAB9AMEN1NPC1KMT2A
SCHEMBL3491341 0.67 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1RAB9AMEN1NPC1
SCHEMBL38093 0.65 PDE5A (0.55) PDE5ASMN1; SMN2ALDH1A1RAB9ANPC1
Meglumine SCHEMBL21459168 0.64 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1RAB9AMEN1NPC1
SCHEMBL4520288 0.64 KMT2A (0.57) ALDH1A1RAB9AMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870656-B2 Methods for treatment of heart failure CARDURION PHARMACEUTICALS, LLC (US) 2020-12-22 US disclosed
US-20190211028-A1 METHODS FOR TREATMENT OF HEART FAILURE CARDURION PHARMACEUTICALS LLC (US) 2019-07-11 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 (2 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-10870656-B2 Methods for treatment of heart failure TNNT2, TNNI3, TNNC1 PDE5A 251/4885SMN1; SMN2 1014/4885ALDH1A1 748/4885
US-20190211028-A1 METHODS FOR TREATMENT OF HEART FAILURE TNNT2, TNNI3, TNNC1 PDE5A 251/4885SMN1; SMN2 1014/4885ALDH1A1 748/4885

“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.