SCHEMBL4715420

SCHEMBL4715420

O=C(O)NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 6/20 0.58
POLB P06746 3/20 0.56
HTT P42858 2/20 0.55
EPHX2 P34913 1/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL8259232 0.82 NAMPT (0.54) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL6376918 0.81 TP53 (0.63) KMT2ASMN1; SMN2LMNAEPHX2NPSR1
SCHEMBL4877647 0.80 SMN1; SMN2 (0.71) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27577307 0.78 EPHX2 (0.72) KMT2ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL5159206 0.76 SMN1; SMN2 (0.57) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL316042 0.76 SMN1; SMN2 (0.74) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL315111 0.76 NPC1 (0.80) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL5424658 0.75 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL3590338 0.74 SIGMAR1 (0.73) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL4884780 0.74 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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 (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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A KMT2A 4644/4885MEN1 2015/4885SMN1; SMN2 2438/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KMT2A 1922/4885MEN1 476/4885SMN1; SMN2 2854/4885

“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.