SCHEMBL273955

SCHEMBL273955

COc1ccc(/C=N/NC(=O)c2cc(I)ccc2NC(=O)c2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ACHE P22303 2/20 0.44
ACKR3 P25106 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
SLC34A2 O95436 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40

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
SCHEMBL265525 1.00 MAPT (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL273699 0.94 ACKR3 (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL267480 0.94 ACKR3 (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL273528 0.92 KDM4E (0.48) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL269745 0.92 KDM4E (0.48) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL265952 0.92 MEN1 (0.42) MAPTSMN1; SMN2NPC1RAB9AACKR3
SCHEMBL274290 0.92 MEN1 (0.42) MAPTSMN1; SMN2NPC1RAB9AACKR3
SCHEMBL267724 0.92 NPC1 (0.44) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL273682 0.92 NPC1 (0.44) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL268087 0.91 L3MBTL1 (0.44) MAPTNPC1RAB9AALDH1A1ACKR3

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 MAPT 4648/4885KDM4E 4535/4885SMN1; SMN2 4253/4885

“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.