SCHEMBL2234694

SCHEMBL2234694

O=C1CCc2cc(C3=CCCCC3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
TBXAS1 P24557 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.47
MMP12 P39900 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2D6 P10635 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK13 O15264 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
SCHEMBL16090399 0.88 PDE3B (0.54) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL1771318 0.76 ACMSD (0.41) PDE3BPDE3AACMSD
SCHEMBL4901465 0.74 KIF11 (0.66) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL3306566 0.73 KIF11 (0.69) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL28695339 0.73 KIF11 (0.60) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4596297 0.72 KIF11 (0.55) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4596450 0.72 KIF11 (0.46) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4894920 0.72 KIF11 (0.49) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4608672 0.72 KIF11 (0.46) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL11151549 0.72 ADRA2A (0.51) CYP11B1CYP11B2MAPTALDH1A1SMN1; 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 KIF11 4379/4885PDE3B 655/4885PDE3A 1192/4885

“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.