SCHEMBL720111

SCHEMBL720111

COc1ccc2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 2/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
HPGDS O60760 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
SLC6A9 P48067 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
SLC16A3 O15427 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
SCHEMBL718424 0.93 HSD17B10 (0.41) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL720105 0.87 ALDH1A1 (0.47) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL719941 0.87 TEAD4 (0.39) ALDH1A1HPGDRAB9AKDM4EMAOB
SCHEMBL720269 0.86 ALDH1A1 (0.50) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL719471 0.85 ALDH1A1 (0.38) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL718231 0.84 ALDH1A1 (0.50) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL719915 0.83 NPC1 (0.45) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL718885 0.83 SMN1; SMN2 (0.43) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL720656 0.82 NPC1 (0.39) ALDH1A1HPGDRAB9AHSD17B10KDM4E
SCHEMBL717279 0.81 GCG (0.44) ALDH1A1HPGDRAB9AHSD17B10KDM4E

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 8 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-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 ALDH1A1 504/4885HPGD 486/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885HPGD 486/4885RAB9A 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.