SCHEMBL268608

SCHEMBL268608

CCN(CC)CCN(C)Cc1cccc(C(=O)Nc2ccc(OCCOC)cc2C(=O)NN=Cc2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
SPHK2 Q9NRA0 4/20 0.40
SPHK1 Q9NYA1 4/20 0.40
SLC34A2 O95436 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL268607 1.00 NPC1 (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL268047 0.99 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL268048 0.99 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL267980 0.94 MAPT (0.48) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL267979 0.94 MAPT (0.48) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL268549 0.92 SLC34A2 (0.41) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL268550 0.92 SLC34A2 (0.41) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL269652 0.92 MAPT (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL269651 0.92 MAPT (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL267912 0.91 SLC34A2 (0.40) NPC1RAB9AMAPTALDH1A1KDM4E

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 102/4885RAB9A 883/4885MAPT 4195/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885MAPT 4648/4885

“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.