SCHEMBL268116

SCHEMBL268116

CCOC(=O)c1cc(N2CCCCC2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.61
ALDH1A1 P00352 8/20 0.55
PKM P14618 2/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.51
LGMN Q99538 2/20 0.51
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
S100B P04271 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL17827898 0.87 LGMN (0.60) IP6K1ALDH1A1LMNALGMNHSD17B10
SCHEMBL40467 0.85 IP6K1 (0.66) IP6K1ALDH1A1PKMTSHRLMNA
SCHEMBL20509930 0.83 IP6K1 (0.68) IP6K1ALDH1A1PKMTSHRLMNA
SCHEMBL14626043 0.81 MAPT (0.71) ALDH1A1PKMTSHRLMNAL3MBTL1
SCHEMBL11736864 0.80 IP6K1 (0.71) IP6K1ALDH1A1PKMLMNAHSD17B10
SCHEMBL268283 0.80 MAPT (0.61) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL4508521 0.80 MAPT (0.52) ALDH1A1PKMTSHRLMNAHSD17B10
SCHEMBL14590763 0.78 HIF1A (0.55) ALDH1A1PKMTSHRLMNAL3MBTL1
SCHEMBL8871236 0.78 IP6K1 (0.97) IP6K1ALDH1A1PKMTSHRLMNA
SCHEMBL2060966 0.78 IP6K1 (0.73) IP6K1ALDH1A1PKMLMNAHSD17B10

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 IP6K1 1060/4885ALDH1A1 3022/4885PKM 1697/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 IP6K1 704/4885ALDH1A1 2872/4885PKM 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.