SCHEMBL17700271

SCHEMBL17700271

COC(=O)[C@@H](C)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PKM P14618 2/20 0.49
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL3819373 0.98 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL19694075 0.98 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL19694078 0.98 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL8724693 0.98 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL8494757 0.86 KDM4E (0.52) FDPSSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL27974080 0.86 KDM4E (0.52) FDPSSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL22346303 0.85 FDPS (0.51) FDPSSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL22346302 0.85 FDPS (0.51) FDPSSMN1; SMN2ALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL22346290 0.83 FDPS (0.50) FDPSSMN1; SMN2ALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL22346291 0.83 FDPS (0.50) FDPSSMN1; SMN2ALDH1A1POLBNPC1

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 FDPS 3138/4885SMN1; SMN2 1516/4885ALDH1A1 3137/4885

“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.