SCHEMBL405872

SCHEMBL405872

N=C(NC(=O)Cc1c(Cl)cccc1Cl)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.50
P2RX7 Q99572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
PTPN7 P35236 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42
MGLL Q99685 1/20 0.40
BACE1 P56817 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL806885 0.85 AKR1B1 (0.47) CASP1P2RX7SIGMAR1ALDH1A1LMNA
Etiguanfacine SCHEMBL406264 0.83 ALDH1A1 (0.48) P2RX7ALDH1A1LMNASMN1; SMN2AKR1B1
SCHEMBL2321117 0.82 LMNA (0.56) ALDH1A1LMNASMN1; SMN2KMT2AHTT
SCHEMBL406863 0.82 KMT2A (0.43) SIGMAR1ALDH1A1LMNASMN1; SMN2AKR1B1
SCHEMBL406227 0.82 KMT2A (0.43) ALDH1A1SMN1; SMN2AKR1B1KMT2AMEN1
Etiguanfacine SCHEMBL440827 0.82 ALDH1A1 (0.47) P2RX7ALDH1A1LMNASMN1; SMN2AKR1B1
Guanfacine SCHEMBL441332 0.81 CASP1 (0.47) CASP1SIGMAR1ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL442864 0.81 KMT2A (0.43) ALDH1A1SMN1; SMN2AKR1B1KMT2AMEN1
SCHEMBL405981 0.81 MAPK1 (0.44) P2RX7ALDH1A1LMNASMN1; SMN2AKR1B1
Guanfacine SCHEMBL437689 0.81 CASP1 (0.46) CASP1SIGMAR1ALDH1A1SMN1; SMN2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 WO disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 US disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 CASP1 1675/4885P2RX7 2184/4885SIGMAR1 918/4885

“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.