SCHEMBL5864825

SCHEMBL5864825

CS(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP19A1 P11511 4/20 0.49
FPR2 P25090 5/20 0.48
PROKR1 Q8TCW9 5/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PTGES O14684 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 3/20 0.47
CYP2C9 P11712 1/20 0.47
SCD O00767 1/20 0.47

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
SCHEMBL3979711 0.85 SCD (0.51) ALDH1A1SMN1; SMN2CYP19A1FPR2PROKR1
SCHEMBL27265100 0.83 HSD17B10 (0.53) ALDH1A1SMN1; SMN2CYP19A1KMT2AMEN1
SCHEMBL5865157 0.82 SCD (0.48) ALDH1A1SMN1; SMN2CYP19A1KMT2AMEN1
SCHEMBL5864804 0.82 SCN8A (0.50) ALDH1A1SMN1; SMN2CYP19A1KMT2AMEN1
SCHEMBL6815887 0.81 SCD (0.47) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP3A4
SCHEMBL15889780 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP19A1FPR2PROKR1
SCHEMBL5864915 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL22069750 0.81 CYP19A1 (0.55) ALDH1A1SMN1; SMN2CYP19A1KMT2AMEN1
SCHEMBL30296552 0.81 CYP19A1 (0.52) ALDH1A1SMN1; SMN2CYP19A1KMT2AMEN1
SCHEMBL5864874 0.80 FPR2 (0.52) ALDH1A1SMN1; SMN2FPR2PROKR1CYP2D6

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 1382/4885SMN1; SMN2 4174/4885CYP19A1 1216/4885

“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.