SCHEMBL268083

SCHEMBL268083

O=C(Nc1ccc(Br)cc1C(=O)NN=Cc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
POLB P06746 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
RAB9A P51151 5/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MITF O75030 1/20 0.54
ASF1A Q9Y294 1/20 0.54
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.50

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
SCHEMBL268082 1.00 NPC1 (0.60) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL269787 0.92 MEN1 (0.70) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL269788 0.92 MEN1 (0.70) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL269019 0.90 NPC1 (0.53) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL266536 0.90 L3MBTL1 (0.65) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL266537 0.90 L3MBTL1 (0.65) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL269055 0.89 CYP2D6 (0.55) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL269054 0.89 CYP2D6 (0.55) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL266918 0.88 GAA (0.59) NPC1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL266917 0.88 GAA (0.59) NPC1MEN1KMT2ASMN1; SMN2TDP1

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 102/4885MEN1 1194/4885KMT2A 4564/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885MEN1 1638/4885KMT2A 4603/4885

“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.