SCHEMBL13128735

SCHEMBL13128735

C=C1C=Cc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.64
PDE3A Q14432 8/20 0.64
ALDH1A1 P00352 8/20 0.64
TSHR P16473 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
ABCC4 O15439 1/20 0.64
CACNA1F O60840 1/20 0.64
ABCB11 O95342 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
THPO P40225 1/20 0.64
OPRK1 P41145 1/20 0.64
BLM P54132 1/20 0.64

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
SCHEMBL24668909 0.81 PDE3B (0.80) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL12117982 0.80 PDE3B (0.69) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
Cilostazol SCHEMBL29389547 0.78 PDE3B (1.00) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL9368060 0.78 PDE3B (0.74) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
Cilostazol SCHEMBL1818013 0.78 PDE3B (1.00) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
Cilostazol SCHEMBL16128 0.78 PDE3B (1.00) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL25984910 0.76 PDE3B (0.71) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL12116425 0.76 PDE3B (0.86) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL11038009 0.76 PDE3B (0.71) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2
SCHEMBL3844375 0.75 ALDH1A1 (0.70) PDE3BPDE3AALDH1A1TSHRSMN1; SMN2

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-8349817-B2 Analogues of cilostazol CONCERT PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20100249079-A1 ANALOGUES OF CILOSTAZOL CONCERT PHARMACEUTICALS INC. 2010-09-30 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-20100249079-A1 ANALOGUES OF CILOSTAZOL PDE3A, PDE3B, PDE5A PDE3B 2/4885PDE3A 1/4885ALDH1A1 1189/4885

“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.