SCHEMBL267568

SCHEMBL267568

CCCN(CCC)c1ccc(N)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
HSD17B10 Q99714 5/20 0.55
GAA P10253 5/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
CFTR P13569 4/20 0.46
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.41
S100B P04271 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17774935 0.83 IKBKB (0.42) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL17774932 0.81 CRHR1 (0.38) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL1129609 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL17774926 0.79 MAPT (0.36) ALDH1A1KDM4EHSD17B10GAAHPGD
Hydrochloric Acid SCHEMBL296819 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL17774973 0.78 IKBKB (0.39) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL268225 0.78 SIRT6 (0.48) ALDH1A1MAPTTSHRLMNAMEN1
SCHEMBL17774952 0.78 S100B (0.46) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL17779227 0.77 IKBKB (0.38) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL221403 0.74 ALDH1A1 (0.81) ALDH1A1KDM4EHSD17B10GAAHPGD

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 ALDH1A1 3022/4885KDM4E 4468/4885HSD17B10 1344/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ALDH1A1 2872/4885KDM4E 4535/4885HSD17B10 1325/4885

“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.