SCHEMBL719941

SCHEMBL719941

CN(CCC(=O)O)C(=O)c1ccc(NC(c2cc3ccccc3o2)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.39
RCE1 Q9Y256 1/20 0.39
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 5/20 0.37
MAOB P27338 3/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
OPRK1 P41145 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL720495 0.90 TEAD4 (0.34) TEAD4RCE1RAB9ANPC1MAOB
SCHEMBL13069307 0.89 TEAD4 (0.36) TEAD4RCE1RAB9AALDH1A1HPGD
SCHEMBL718424 0.87 HSD17B10 (0.41) RAB9AALDH1A1HPGDNPC1MAOB
SCHEMBL720111 0.87 ALDH1A1 (0.43) RCE1RAB9AALDH1A1HPGDNPC1
SCHEMBL718885 0.85 SMN1; SMN2 (0.43) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL719470 0.83 RCE1 (0.53) TEAD4RCE1RAB9ANPC1MAOB
SCHEMBL716552 0.82 NPC1 (0.40) TEAD4RCE1RAB9AALDH1A1NPC1
SCHEMBL716274 0.82 OPRM1 (0.44) RCE1HDAC6ABL1RIN1
SCHEMBL720542 0.81 CYP2C19 (0.37) TEAD4RCE1RAB9AALDH1A1HPGD
SCHEMBL13093864 0.80 ALDH1A1 (0.41) TEAD4RCE1RAB9AALDH1A1HPGD

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 10 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 TEAD4 253/4885RCE1 2661/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TEAD4 253/4885RCE1 2661/4885RAB9A 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.