SCHEMBL273516

SCHEMBL273516

Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccn2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.53
RAB9A P51151 14/20 0.53
PKM P14618 5/20 0.53
POLB P06746 3/20 0.53
GAA P10253 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 2/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GRM5 P41594 2/20 0.47
GRM4 Q14833 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL265842 1.00 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL273718 0.91 NPC1 (0.57) NPC1RAB9APKMPOLBGAA
SCHEMBL268003 0.91 NPC1 (0.57) NPC1RAB9APKMPOLBGAA
SCHEMBL273690 0.90 NPC1 (0.55) NPC1RAB9APKMPOLBGAA
SCHEMBL269258 0.90 NPC1 (0.55) NPC1RAB9APKMPOLBGAA
SCHEMBL274295 0.89 MEN1 (0.51) NPC1RAB9APKMPOLBGAA
SCHEMBL269535 0.89 MEN1 (0.51) NPC1RAB9APKMPOLBGAA
SCHEMBL273716 0.88 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL266553 0.88 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL268292 0.87 NPC1 (0.53) NPC1RAB9AGAASMN1; SMN2MAPT

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 115/4885RAB9A 1362/4885PKM 1916/4885

“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.