SCHEMBL265658

SCHEMBL265658

CCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
HCAR3 P49019 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL31665500 0.92 MAPT (0.49) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL31665134 0.81 SIRT6 (0.54) ALDH1A1MAPTRAB9ASIRT6TDP1
SCHEMBL6792379 0.80 SIRT6 (0.56) ALDH1A1MAPTSIRT6TDP1KMT2A
SCHEMBL27170990 0.79 KMT2A (0.54) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL12201377 0.79 SIRT6 (0.54) ALDH1A1MAPTRAB9ANPC1SIRT6
SCHEMBL31665590 0.78 MAPT (0.58) ALDH1A1MAPTPKMHCAR3TDP1
SCHEMBL18792896 0.78 KMT2A (0.52) ALDH1A1MAPTRAB9ASIRT6TDP1
SCHEMBL9586583 0.78 MCL1 (0.47) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL268225 0.77 SIRT6 (0.48) ALDH1A1MAPTSIRT6HCAR3TDP1
SCHEMBL11130464 0.77 HCAR3 (0.58) ALDH1A1MAPTPKMHCAR3TDP1

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 3022/4885MAPT 4195/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ALDH1A1 2872/4885MAPT 4648/4885RAB9A 1362/4885

“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.