SCHEMBL273687

SCHEMBL273687

O=C(Nc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.53
NPC1 O15118 13/20 0.47
RAB9A P51151 12/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
OPRK1 P41145 2/20 0.47
POLB P06746 5/20 0.46
GAA P10253 5/20 0.46
PKM P14618 4/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL266825 1.00 GRM4 (0.53) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL267332 0.91 GRM4 (0.54) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL273519 0.91 GRM4 (0.54) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL266916 0.90 GRM4 (0.57) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL273863 0.90 GRM4 (0.57) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL273927 0.88 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL267372 0.88 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL267373 0.88 NPC1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL267209 0.86 KMT2A (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL267208 0.86 KMT2A (0.50) NPC1RAB9AMEN1KMT2APOLB

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 GRM4 4107/4885NPC1 115/4885RAB9A 1362/4885

“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.