SCHEMBL4829285

SCHEMBL4829285

CSc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
S1PR4 O95977 1/20 0.35
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL5267218 0.81 MAPT (0.41) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL1625178 0.79 ALDH1A1 (0.47) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL29779688 0.79 ALDH1A1 (0.47) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL29672031 0.79 ALDH1A1 (0.50) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL563664 0.79 ALDH1A1 (0.50) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL8808441 0.78 ALDH1A1 (0.38) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL25465546 0.77 MAPT (0.38) MAPTALDH1A1TSHRMAPK1DCTPP1
SCHEMBL20595552 0.76 ALDH1A1 (0.45) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL30014602 0.76 ALDH1A1 (0.45) MAPTHTTLMNAALDH1A1TSHR
SCHEMBL413683 0.73 MAPT (0.50) MAPTHTTLMNAALDH1A1TSHR

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
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 EP disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 MAPT 342/4885HTT 1725/4885LMNA 4263/4885

“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.