SCHEMBL3435484

SCHEMBL3435484

CS(=O)(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
NOD1 Q9Y239 1/20 0.49
PKM P14618 2/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 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
SCHEMBL3436144 0.89 MAPT (0.65) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3436164 0.84 LMNA (0.54) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3436497 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3435114 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2080668 0.82 MAPT (0.53) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2080950 0.82 L3MBTL1 (0.63) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3436159 0.82 MAPT (0.61) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3435109 0.81 MAPT (0.67) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3435024 0.81 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2076697 0.80 MAPT (0.64) ALDH1A1MAPTLMNASMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885MAPT 1330/4885LMNA 4712/4885

“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.