SCHEMBL3786028

SCHEMBL3786028

CNc1ccc(-c2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
GFER P55789 1/20 0.41
KIF11 P52732 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL5141361 0.84 TSHR (0.57) ALDH1A1HSD17B10TSHRGFERKIF11
SCHEMBL6480845 0.82 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1TSHRHDAC3
SCHEMBL25973862 0.80 TSHR (0.59) ALDH1A1HSD17B10TSHRGFERKIF11
SCHEMBL31264295 0.79 ALDH1A1 (0.79) ALDH1A1HSD17B10L3MBTL1HDAC3HDAC4
SCHEMBL28063108 0.79 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1TSHRHDAC3
SCHEMBL3780914 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TSHRHDAC1
SCHEMBL27817250 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1HDAC3HDAC4
SCHEMBL3790053 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TSHRGFER
SCHEMBL3784065 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TSHRGFER
SCHEMBL3784609 0.77 HSD17B10 (0.45) ALDH1A1HSD17B10L3MBTL1TSHRHDAC3

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885HSD17B10 1100/4885L3MBTL1 3838/4885

“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.