SCHEMBL266393

SCHEMBL266393

O=C(Nc1ccc(Br)cc1C(=O)NN=Cc1cccc(F)c1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
POLB P06746 2/20 0.61
PLEC Q15149 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
RAB9A P51151 7/20 0.60
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
SLC34A2 O95436 1/20 0.51
SLC34A1 Q06495 1/20 0.51

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
SCHEMBL266392 1.00 TDP1 (0.61) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL266050 0.93 TDP1 (0.60) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL266051 0.93 TDP1 (0.60) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL267100 0.91 TDP1 (0.57) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL267101 0.91 TDP1 (0.57) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL269055 0.91 CYP2D6 (0.55) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL269054 0.91 CYP2D6 (0.55) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL268485 0.90 SMN1; SMN2 (0.52) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL268486 0.90 SMN1; SMN2 (0.52) TDP1POLBPLECCTDSP1RAB9A
SCHEMBL269787 0.90 MEN1 (0.70) TDP1POLBPLECCTDSP1RAB9A

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 TDP1 4744/4885POLB 3843/4885PLEC 1101/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 TDP1 4604/4885POLB 3761/4885PLEC 633/4885

“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.