SCHEMBL3051649

SCHEMBL3051649

O=C(O)NCCn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.59
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TBXAS1 P24557 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NAMPT P43490 1/20 0.48
QPCT Q16769 1/20 0.47

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
SCHEMBL6398857 0.89 L3MBTL1 (0.68) ALDH1A1L3MBTL1TBXAS1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5656951 0.88 L3MBTL1 (0.66) ALDH1A1L3MBTL1TBXAS1SMN1; SMN2NPC1
SCHEMBL9370041 0.84 EGLN3 (0.59) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL4399230 0.84 ALDH1A1 (0.54) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL16610099 0.84 EGLN3 (0.58) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL29058772 0.81 ALDH1A1 (0.57) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL16807523 0.81 ALDH1A1 (0.55) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL13853598 0.81 QPCT (0.55) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL15014468 0.81 KDM4E (0.55) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL4156721 0.81 ALDH1A1 (0.51) EGLN3ALDH1A1L3MBTL1TBXAS1SMN1; SMN2

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
WO-2017168451-A1 DERIVATIVES OF IMIDAZOLE AND BENZIMIDAZOLE, METHOD OF PREPARATION AND USE THEREOF SHIV NADAR UNIVERSITY (IN) 2017-10-05 WO disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 EGLN3 2729/4885ALDH1A1 1738/4885L3MBTL1 2478/4885
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP EGLN3 738/4885ALDH1A1 1036/4885L3MBTL1 1447/4885

“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.