SCHEMBL40490

SCHEMBL40490

NNC(=O)c1cc(N2CCCCC2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.68
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
PKM P14618 3/20 0.53
S100B P04271 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL17779283 0.87 IP6K1 (0.66) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL17779230 0.85 IP6K1 (0.68) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL20209314 0.84 IP6K1 (0.62) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL8871236 0.83 IP6K1 (0.97) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL2060966 0.83 IP6K1 (0.73) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL27957504 0.82 MAPT (0.58) MAPTALDH1A1HTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL9017001 0.82 IP6K1 (0.59) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL18059207 0.82 IP6K1 (0.59) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL17774909 0.82 IP6K1 (0.59) IP6K1MAPTALDH1A1HTTLMNA
SCHEMBL11736864 0.81 IP6K1 (0.71) IP6K1MAPTALDH1A1HTTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 IP6K1 355/4885MAPT 3270/4885ALDH1A1 3332/4885

“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.