SCHEMBL4901874

SCHEMBL4901874

O=C(CN1CCCCC1)Nc1c[c]ccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
NPC1 O15118 3/20 0.65
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
THRB P10828 1/20 0.55
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GLA P06280 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL1355900 0.82 KDM4E (0.68) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL22407734 0.82 KDM4E (0.68) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL6795359 0.82 ALDH1A1 (0.94) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL1355565 0.80 KDM4E (0.67) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL11147683 0.80 ALDH1A1 (0.90) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL22660395 0.78 EGFR (0.46) POLBALDH1A1KDM4ENPC1MEN1
SCHEMBL6609968 0.76 ALDH1A1 (0.55) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22660328 0.76 EGFR (0.45) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL1418819 0.75 SCN1A (0.40) POLBKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL3220294 0.74 POLB (0.81) POLBALDH1A1KDM4ENPC1TP53

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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 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 (2 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 POLB 3205/4885ALDH1A1 425/4885KDM4E 2523/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 POLB 3318/4885ALDH1A1 425/4885KDM4E 2481/4885

“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.