SCHEMBL5864792

SCHEMBL5864792

COC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
UTS2R Q9UKP6 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SCD O00767 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
RORC P51449 1/20 0.42

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
SCHEMBL5864867 0.82 RORC (0.45) UTS2RLMNAKDM4ERORC
SCHEMBL5864915 0.81 ALDH1A1 (0.49) ALDH1A1UTS2RMEN1KMT2APKM
SCHEMBL5193330 0.81 HRH1 (0.58) LMNAMAPT
SCHEMBL5864901 0.81 MAPT (0.46) ALDH1A1UTS2RKMT2ARAB9ALMNA
SCHEMBL3979711 0.81 SCD (0.51) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL5864745 0.79 MAPT (0.57) MEN1KMT2APKMRAB9AMAPT
SCHEMBL5865224 0.79 ALDH1A1 (0.54) ALDH1A1UTS2RMEN1KMT2ALMNA
SCHEMBL27265100 0.79 HSD17B10 (0.53) ALDH1A1MEN1KMT2APKMRAB9A
SCHEMBL5865157 0.78 SCD (0.48) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6815887 0.77 SCD (0.47) ALDH1A1UTS2RKMT2ARAB9ALMNA

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 ALDH1A1 1382/4885UTS2R 1166/4885MEN1 2403/4885

“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.