SCHEMBL4901152

SCHEMBL4901152

[c]1cccc(OCCn2cccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 3/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
TBXAS1 P24557 2/20 0.37
THRB P10828 2/20 0.37
JAK2 O60674 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MCL1 Q07820 1/20 0.34
PFKFB3 Q16875 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL1355763 0.83 IDO1 (0.44) IDO1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL4902296 0.75 TBXAS1 (0.68) ALDH1A1TBXAS1KDM4E
SCHEMBL5704638 0.75 KCNA3 (0.42) ALDH1A1THRBKDM4EMAPTRAB9A
SCHEMBL12269283 0.74 THRB (0.45) IDO1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL3861581 0.74 LTA4H (0.45) IDO1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL10785391 0.74 THRB (0.48) IDO1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL15300912 0.74 MAPK1 (0.55) IDO1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL11866 0.73 KMT2A (0.56) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL129009 0.72 KMT2A (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6292244 0.71 KMT2A (0.60) ALDH1A1TBXAS1

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 IDO1 751/4885ALDH1A1 425/4885PRKAB2 4721/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 IDO1 722/4885ALDH1A1 425/4885PRKAB2 4718/4885

“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.