SCHEMBL115944

SCHEMBL115944

O[C@H](CNCc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.59
SLC16A3 O15427 1/20 0.56
PNMT P11086 1/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
BACE1 P56817 2/20 0.55
ACP3 P15309 1/20 0.50

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
SCHEMBL118305 0.83 PNMT (0.52) BCHESLC16A3PNMT
SCHEMBL118320 0.83 PNMT (0.52) BCHESLC16A3PNMT
SCHEMBL115977 0.83 PRMT5 (0.48) LMNA
SCHEMBL10070266 0.82 PNMT (0.51) BCHEPNMT
SCHEMBL10070265 0.82 PNMT (0.51) BCHEPNMT
SCHEMBL117129 0.81 BCHE (0.49) BCHEPNMTBACE1
SCHEMBL115946 0.81 BCHE (0.49) BCHEPNMTBACE1
SCHEMBL27731739 0.81 SLC16A3 (0.60) SLC16A3LMNAMEN1KMT2A
SCHEMBL2298340 0.81 SLC16A3 (0.60) SLC16A3LMNAMEN1KMT2A
SCHEMBL2291798 0.81 SLC16A3 (0.60) SLC16A3LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 BCHE 4506/4885SLC16A3 3951/4885PNMT 2146/4885

“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.