SCHEMBL884614

SCHEMBL884614

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1Cc1ccc(F)c(F)c1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
PARP1 P09874 5/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
PARP2 Q9UGN5 3/20 0.35
CCR3 P51677 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL884554 0.91 TDP1 (0.34) LMNAPARP1SMN1; SMN2PARP2ALDH1A1
SCHEMBL885442 0.91 SMN1; SMN2 (0.39) LMNAAKR1C3AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL884750 0.87 KDM4E (0.38) LMNAAKR1C3AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL885768 0.87 PARP1 (0.38) PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL884626 0.86 PKM (0.42) LMNAALDH1A1POLBCYP2C19MEN1
SCHEMBL884465 0.86 KMT2A (0.37) LMNAAKR1C3AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL884782 0.84 REN (0.38) LMNAAKR1C3AKR1C1ALDH1A1CYP2C19
SCHEMBL884467 0.83 SMN1; SMN2 (0.40) LMNAAKR1C3AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL885827 0.83 SMN1; SMN2 (0.38) LMNAAKR1C3AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL2062411 0.83 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1POLBNPSR1

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 10 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

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 LMNA 824/4885PARP1 3293/4885AKR1C3 433/4885

“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.