SCHEMBL1067696

SCHEMBL1067696

COC(=O)C(N)Cc1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 3/20 0.40
SLC7A5 Q01650 2/20 0.39
MEN1 O00255 2/20 0.39
ADRA2A P08913 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL30523452 1.00 AKR1B1 (0.42) AKR1B1SMN1; SMN2ALDH1A1POLBHPGD
Hydrochloric Acid SCHEMBL1067694 0.98 ALDH1A1 (0.42) AKR1B1SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL1066220 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL4595262 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2153012 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL7099498 0.82 FFAR1 (0.42) SMN1; SMN2ALDH1A1ADRA2BHIF1AMAPT
SCHEMBL5719575 0.81 ITGA4 (0.55)
SCHEMBL6561273 0.81 ITGA4 (0.55)
Hydrochloric Acid SCHEMBL32677150 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL16062182 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 AKR1B1 386/4885SMN1; SMN2 2392/4885ALDH1A1 1129/4885

“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.