Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115795

SCHEMBL2115795

SCHEMBL2115795

O=c1c2c([N+](=O)[O-])nn(-c3ccccc3)c2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ GRM1 Q13255 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CNR1 P21554 6/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TDP2 O95551 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL1689162 0.82 CDK4 (0.46) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1688879 0.81 CNR1 (0.44) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1689090 0.80 CNR1 (0.57) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1689333 0.77 CDK4 (0.43) MAPTGRM1CNR1CNR2KDM4E
SCHEMBL1689025 0.76 CNR1 (0.40) MAPTGRM1GRM5CNR1CNR2
SCHEMBL1753008 0.76 MAPT (0.69) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1753101 0.74 GRM1 (0.55) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4787160 0.74 MAPT (0.45) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1689384 0.73 GRM1 (0.47) MAPTKMT2AGRM1GRM5CNR1
SCHEMBL1753105 0.73 GRM1 (0.53) MAPTALDH1A1HPGDKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 — — US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 — — US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 — — US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 — — EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 — — 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885ALDH1A1 2743/4885HPGD 1745/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885ALDH1A1 2743/4885HPGD 1745/4885

“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.