SCHEMBL267344

SCHEMBL267344

CN(C)Cc1cccc(C(=O)Nc2sc(Br)cc2C(=O)NN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
ROCK2 O75116 9/20 0.44
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PTGER1 P34995 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL265903 0.88 KDM4E (0.47) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6581113 0.79 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL269033 0.79 MAPT (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL269034 0.79 MAPT (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL267936 0.74 CHEK1 (0.35) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL268802 0.73 KDM4E (0.67) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6175213 0.71 SLC7A5 (0.56) MEN1KMT2AROCK2CYP3A4CYP2C19
SCHEMBL21185314 0.68 ROCK2 (0.62) ROCK2AURKARPS6KB1CYP3A4
SCHEMBL307678 0.68 ROCK2 (0.67) MEN1KMT2AROCK2CYP3A4TP53
SCHEMBL2911625 0.68 MEP1B (0.59) MEN1KMT2AROCK2

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 NPC1 102/4885RAB9A 883/4885ALDH1A1 3022/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885ALDH1A1 2872/4885

“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.