SCHEMBL720932

SCHEMBL720932

CCCCCCC(Nc1ccc(C(=O)O)cc1)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 1/20 0.40
ATM Q13315 1/20 0.40
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL721304 0.93 MAPT (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL718821 0.91 NPC1 (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL718636 0.89 NPC1 (0.41) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL717999 0.88 GCGR (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL717989 0.87 KMT2A (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL718632 0.85 NPC1 (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL720030 0.84 KMT2A (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL719406 0.83 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL717934 0.82 NPC1 (0.44) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL717308 0.82 KMT2A (0.42) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885NPC1 902/4885RAB9A 2454/4885

“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.