SCHEMBL719006

SCHEMBL719006

CCC(CC)C(Nc1ccc(C(=O)OC)cc1)c1oc2ccc(F)cc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL721622 0.89 CA12 (0.40) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL720069 0.88 KMT2A (0.46) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL720719 0.82 GCG (0.45) RAB9ANPC1KMT2AMEN1
SCHEMBL719995 0.82 NAMPT (0.36) RAB9ANPC1KMT2AMAPTHCRTR1
SCHEMBL718232 0.81 KMT2A (0.35) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL14905708 0.80 NPC1 (0.48) LMNAALDH1A1RAB9ANPC1KMT2A
SCHEMBL717934 0.79 NPC1 (0.44) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL719819 0.75 GCG (0.47) RAB9ANPC1
SCHEMBL2669991 0.74 NAMPT (0.40) RAB9ANPC1KMT2AMAPTHCRTR1
SCHEMBL3396953 0.73 NPC1 (0.48) ALDH1A1RAB9ANPC1KMT2AMEN1

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 LMNA 3028/4885ALDH1A1 504/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885ALDH1A1 504/4885RAB9A 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.