SCHEMBL3041386

SCHEMBL3041386

O=C(NCCn1ccnc1)C(O)(c1ccccc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 2/20 0.43
POLB P06746 1/20 0.42
QPCT Q16769 1/20 0.41

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
SCHEMBL3044777 0.93 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2L3MBTL1CNR1
SCHEMBL3051273 0.86 POLB (0.54) CYP11B1CYP11B2SMN1; SMN2L3MBTL1CNR1
SCHEMBL3053643 0.79 CNR1 (0.42) L3MBTL1CNR1CNR2MEN1KMT2A
SCHEMBL3044984 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CNR1CNR2MEN1
SCHEMBL3049116 0.76 CYP11B1 (0.47) CYP11B1CYP11B2SMN1; SMN2L3MBTL1
SCHEMBL3047459 0.76 CHRM2 (0.49) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL3034671 0.75 CHRM2 (0.48) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL11019493 0.71 CYP11B1 (0.63) CYP11B1CYP11B2CYP3A4MAPTCYP2C9
SCHEMBL13617262 0.70 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3047751 0.70 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1GAAPOLBQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN 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 (3 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 CYP11B1 573/4885CYP11B2 516/4885SMN1; SMN2 3982/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CYP11B1 338/4885CYP11B2 665/4885SMN1; SMN2 3800/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CYP11B1 224/4885CYP11B2 152/4885SMN1; SMN2 2909/4885

“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.