SCHEMBL428472

SCHEMBL428472

O=S(=O)(c1ccc(Cl)cn1)N1CCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
TSHR P16473 4/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL23613812 0.80 KMT2A (0.38) L3MBTL1KMT2ATRPV4
SCHEMBL2992907 0.79 USP2 (0.46) POLBALDH1A1TSHRKDM4EHTT
SCHEMBL20007513 0.74 TRPV4 (0.39) POLBMEN1KMT2ATRPV4
SCHEMBL21172026 0.74 TRPV4 (0.41) TSHRRAB9AMAPK1TRPV4
SCHEMBL29352449 0.74 TRPV4 (0.41) TSHRRAB9AMAPK1TRPV4
SCHEMBL5251954 0.73 L3MBTL1 (0.77) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14529951 0.73 LMNA (0.54) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL1465207 0.72 NFE2L2 (0.42) POLBALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL2704697 0.71 CA1 (0.61) POLBL3MBTL1KDM4E
SCHEMBL2645976 0.71 NFE2L2 (0.41) POLBL3MBTL1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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 (2 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 POLB 4619/4885ALDH1A1 1098/4885L3MBTL1 3855/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 POLB 4619/4885ALDH1A1 1098/4885L3MBTL1 3855/4885

“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.