SCHEMBL6879703

SCHEMBL6879703

CCc1ccc(C)nc1NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CCR1 P32246 1/20 0.34
RAB9A P51151 1/20 0.34
CCR5 P51681 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 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
SCHEMBL27359331 0.82 TYR (0.38) KCNH2CYP3A4MAPTHTTRAB9A
SCHEMBL25636505 0.80 CCR1 (0.32) KDM4EALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL8326377 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL22663497 0.77 KDM4E (0.32) KDM4EALDH1A1CCR1RAB9ACCR5
SCHEMBL31527780 0.77 MEN1 (0.32) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL13045062 0.76 ESR1 (0.41) KDM4EALDH1A1HPGDCYP2C19
SCHEMBL18455183 0.76 MEN1 (0.32) CYP3A4CYP2C19CYP1A2POLBMEN1
SCHEMBL18550647 0.74 MAPT (0.42) ALDH1A1CYP2C19MAPTHTTRAB9A
SCHEMBL20328992 0.74 TSHR (0.43) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL30872944 0.74 HSD11B1 (0.35) KDM4EALDH1A1CYP3A4HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
WO-2011094285-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR INHIBITING PROGRESSION OF, PATHOGENIC OCULAR NEOVASCULARIZATION BAUSCH & LOMB INCORPORATED (US) 2011-08-04 WO disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KCNH2 16/4885SCN5A 15/4885KDM4E 1973/4885

“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.