SCHEMBL269503

SCHEMBL269503

COc1ccc(C=NNC(=O)c2cc(N3CCOCC3)ccc2NC(=O)c2cccc(CSCCO)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.49
MAPT P10636 11/20 0.49
ALDH1A1 P00352 10/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 4/20 0.49
RAB9A P51151 2/20 0.44
PKM P14618 2/20 0.44
SLC34A2 O95436 1/20 0.44
SLC34A1 Q06495 1/20 0.44
SLC34A3 Q8N130 1/20 0.44
SLC20A1 Q8WUM9 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL269502 1.00 KDM4E (0.49) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL267950 0.94 MAPT (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL267949 0.94 MAPT (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL266250 0.93 SLC34A2 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL266251 0.93 SLC34A2 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL268005 0.92 SLC34A2 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL268006 0.92 SLC34A2 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL268433 0.92 SLC34A2 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL268434 0.92 SLC34A2 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL268944 0.91 SLC34A2 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A

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 KDM4E 4468/4885MAPT 4195/4885ALDH1A1 3022/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KDM4E 4535/4885MAPT 4648/4885ALDH1A1 2872/4885

“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.