SCHEMBL266904

SCHEMBL266904

COC(=O)c1cc(Br)ccc1NC(=O)c1cccc(CSc2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
GSK3B P49841 1/20 0.46
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL6350764 0.90 ALDH1A1 (0.46) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL266720 0.88 ALDH1A1 (0.48) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6352641 0.81 AKR1C2 (0.63) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL266695 0.80 LMNA (0.51) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL273530 0.80 LMNA (0.51) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL266398 0.80 AKR1C2 (0.54) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL267155 0.80 LMNA (0.49) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL273381 0.80 LMNA (0.49) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL6356850 0.79 AKR1C2 (0.58) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL266993 0.79 POLB (0.48) ALDH1A1MAPK1GAAKDM4ENPC1

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 ALDH1A1 3022/4885AKR1C2 386/4885AKR1C1 400/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ALDH1A1 2872/4885AKR1C2 606/4885AKR1C1 654/4885

“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.