SCHEMBL4902296

SCHEMBL4902296

[c]1cccc(OCCn2ccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.68
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
LTA4H P09960 1/20 0.56
KMT2A Q03164 1/20 0.54
NOS1 P29475 1/20 0.53
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6292244 0.93 KMT2A (0.60) TBXAS1ALDH1A1KMT2ANOS1
SCHEMBL1566298 0.82 TBXAS1 (0.71) TBXAS1ALDH1A1KDM4EMAPK1LTA4H
SCHEMBL10370478 0.82 TBXAS1 (1.00) TBXAS1ALDH1A1KDM4EMAPK1LTA4H
Hydrochloric Acid SCHEMBL9996050 0.80 TBXAS1 (0.97) TBXAS1ALDH1A1KDM4EMAPK1LTA4H
SCHEMBL7555194 0.77 TBXAS1 (0.66) TBXAS1ALDH1A1KDM4EMAPK1LTA4H
SCHEMBL4901152 0.75 IDO1 (0.44) TBXAS1ALDH1A1KDM4E
SCHEMBL3581172 0.74 ALDH1A1 (0.85) TBXAS1ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL12382 0.74 KMT2A (0.87) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL1928520 0.74 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL9451380 0.74 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ANOS1

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 4 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
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (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 TBXAS1 2667/4885ALDH1A1 425/4885KDM4E 2523/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 TBXAS1 2679/4885ALDH1A1 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.