SCHEMBL5156828

SCHEMBL5156828

COc1cccc(-c2c(C(=O)NC3CCOCC3)[nH]c3ccc(N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
SLC2A1 P11166 1/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL5149450 0.91 CA1 (0.42) CA1CA2ALDH1A1HPGDKMT2A
SCHEMBL5151381 0.90 DYRK1A (0.44) CA1CA2SMN1; SMN2MAPK1MCL1
SCHEMBL3945495 0.86 HSD17B10 (0.47) CA1CA2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5152597 0.84 FBP1 (0.45) CA1CA2SMN1; SMN2ALDH1A1HPGD
SCHEMBL5151586 0.82 CA1 (0.40) CA1CA2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5151373 0.80 CA1 (0.41) CA1CA2LMNAKMT2AMAPT
SCHEMBL4762894 0.80 TP53 (0.36) SMN1; SMN2MAPK1ALDH1A1LMNAHPGD
SCHEMBL3944329 0.76 BRD4 (0.45) CA1CA2SMN1; SMN2ALDH1A1LMNA
SCHEMBL14383477 0.76 BACE1 (0.50) CA1CA2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3941992 0.75 DYRK1A (0.45) CA1CA2SMN1; SMN2ALDH1A1LMNA

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-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 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-20070225284-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 CA1 903/4885CA2 239/4885SMN1; SMN2 3976/4885

“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.