SCHEMBL405880

SCHEMBL405880

CCC(C)OC(=O)NC(=N)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ATM Q13315 1/20 0.35
THRB P10828 1/20 0.35
P2RX7 Q99572 2/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL440664 0.99 KMT2A (0.40) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
SCHEMBL405852 0.89 KMT2A (0.43) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
Hydrochloric Acid SCHEMBL440635 0.88 KMT2A (0.43) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
Etiguanfacine SCHEMBL406264 0.82 ALDH1A1 (0.48) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
Guanfacine SCHEMBL437729 0.82 KMT2A (0.40) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
SCHEMBL405969 0.81 KMT2A (0.42) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
SCHEMBL406227 0.81 KMT2A (0.43) KMT2ASMN1; SMN2MAPK1AKR1B1ALDH1A1
Etiguanfacine SCHEMBL440827 0.81 ALDH1A1 (0.47) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
Guanfacine SCHEMBL437826 0.81 ADRA2A (0.39) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA
Hydrochloric Acid SCHEMBL442697 0.81 KMT2A (0.41) KMT2ASMN1; SMN2MAPK1AKR1B1LMNA

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 KMT2A 1095/4885SMN1; SMN2 1309/4885MAPK1 4054/4885

“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.