SCHEMBL5962729

SCHEMBL5962729

O=Cc1cccnc1Nc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
ARNT P27540 1/20 0.45
EPAS1 Q99814 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 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
SCHEMBL16627427 0.79 ABCG2 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5962635 0.79 ALDH1A1 (0.62) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18797338 0.78 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9402434 0.77 GRM4 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9402383 0.76 RAB9A (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15954532 0.75 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6643061 0.75 NPC1 (0.59) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL8835541 0.74 GRM4 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16638713 0.74 GRM4 (0.58) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL25432578 0.72 MAPT (0.58) MAPTALDH1A1NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115623-B2 PDE IV inhibitors ASKA PHARMACEUTICALS CO., LTD. (JP) 2006-10-03 US disclosed
US-20040176365-A1 Pde IV inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1403270-A1 PDE IV INHIBITORS Grelan Pharmaceutical Co., Ltd. (JP) 2004-03-31 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 (1 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-20040176365-A1 Pde IV inhibitors PDE3B, PDE3A, PDE2A VCAM1 3317/4885MAPT 4416/4885ALDH1A1 678/4885

“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.