SCHEMBL5953536

SCHEMBL5953536

CCOc1cc(N)c(N)cc1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CREBBP Q92793 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL12797854 0.89 MAPT (0.47) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL8503295 0.84 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL5951991 0.80 TAAR1 (0.59) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL28025236 0.80 TSHR (0.50) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL2912013 0.80 CTDSP1 (0.49) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL5952068 0.79 MAPT (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7028420 0.79 MAPT (0.64) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL8646778 0.77 MAPT (0.61) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL8646781 0.77 MAPT (0.61) MAPTALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL21000852 0.76 KDM4E (0.60) MAPTALDH1A1HSD17B10L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAPT 3479/4885ALDH1A1 1389/4885HSD17B10 2769/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885ALDH1A1 862/4885HSD17B10 2973/4885

“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.