SCHEMBL273396

SCHEMBL273396

O=C(Nc1ccc(Br)cc1C(=O)N/N=C/c1ccc(F)cc1)c1ccc(CSc2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.47
RAB9A P51151 6/20 0.47
PKM P14618 3/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 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
SCHEMBL269020 1.00 NPC1 (0.51) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL267602 0.92 MAPT (0.53) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL273398 0.92 MAPT (0.53) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL266207 0.91 SLC34A2 (0.49) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL274087 0.91 SLC34A2 (0.49) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL273681 0.91 POLB (0.51) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL266977 0.91 POLB (0.51) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL266019 0.89 MAPT (0.49) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL273430 0.89 MAPT (0.49) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL268082 0.88 NPC1 (0.60) NPC1KMT2AMEN1POLBSMN1; 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-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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US 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 (1 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885KMT2A 4603/4885MEN1 1638/4885

“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.