SCHEMBL266720

SCHEMBL266720

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ABL1 P00519 1/20 0.42
TSHR P16473 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL266904 0.88 ALDH1A1 (0.48) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6352641 0.82 AKR1C2 (0.63) ALDH1A1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL266977 0.82 POLB (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL273681 0.82 POLB (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL266695 0.82 LMNA (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL273530 0.82 LMNA (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL274060 0.81 SLC34A2 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL265319 0.81 SLC34A2 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL267155 0.81 LMNA (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL273381 0.81 LMNA (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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.