SCHEMBL885437

SCHEMBL885437

Cn1cc(S(=O)(=O)N2CCCC(n3c(-c4ccccc4)c(C(=O)N4CCNCC4)n(Cc4cccc(OCC(=O)N5CCOCC5)c4)c3=O)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
PTGIR P43119 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
CPT1A P50416 2/20 0.33
KMT2A Q03164 2/20 0.33
MET P08581 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
FKBP1A P62942 1/20 0.32

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
SCHEMBL885861 0.95 SMN1; SMN2 (0.37) PTGIRKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL886783 0.93 SMN1; SMN2 (0.38) ROCK2CYP2C9HPGDPTGIRKDM4E
SCHEMBL2062532 0.91 HTR1A (0.38) CYP2C9PTGIRSMN1; SMN2LMNAUSP2
SCHEMBL885934 0.90 HTR1A (0.35) ROCK2CYP2C9PTGIRSMN1; SMN2LMNA
SCHEMBL884654 0.90 POLB (0.35) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL2062324 0.90 ALDH1A1 (0.38) CYP2C9KDM4ELMNAUSP2ALDH1A1
SCHEMBL884720 0.89 HTR1A (0.34) ROCK2PTGIRLMNAHTR1AHTR7
SCHEMBL884801 0.89 HTR1A (0.37) CYP2C9PTGIRLMNAUSP2ALDH1A1
SCHEMBL885566 0.88 HTR1A (0.36) KDM4ELMNAALDH1A1KMT2AHTR1A
SCHEMBL885904 0.88 HTR1A (0.36) CYP2C9PTGIRLMNAUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT ROCK2 903/4885CYP2C9 98/4885HPGD 273/4885

“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.