SCHEMBL1208730

SCHEMBL1208730

O=C1CN(C(=O)OCc2ccccc2)CCN1Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
USP19 O94966 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 1/20 0.43
FAAH O00519 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42

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
SCHEMBL3902852 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL4359832 0.86 KDM1A (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL29010221 0.86 CYP46A1 (0.54) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL4392312 0.85 FNTA (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4387744 0.84 F2 (0.48) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL6891931 0.84 CYP46A1 (0.56) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL6323472 0.82 MEN1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL12523823 0.82 P2RX7 (0.53) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL3664614 0.82 KMT2A (0.42) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL1704512 0.82 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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 (2 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-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof GIPR, DDC, PGC SMN1; SMN2 4621/4885NPC1 2432/4885RAB9A 1182/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 SMN1; SMN2 2803/4885NPC1 4444/4885RAB9A 3693/4885

“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.