SCHEMBL3789587

SCHEMBL3789587

CSc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 6/20 0.40
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IDO1 P14902 2/20 0.36
NPC1 O15118 3/20 0.36
CD44 P16070 1/20 0.35

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
SCHEMBL398627 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
SCHEMBL5515841 0.81 CD44 (0.48) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
SCHEMBL29634405 0.80 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HSD17B10KDM4E
SCHEMBL5047311 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
SCHEMBL3788477 0.80 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HSD17B10KDM4E
SCHEMBL3787227 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
Hydrochloric Acid SCHEMBL9535077 0.78 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1HSD17B10KDM4E
SCHEMBL31568871 0.78 TSHR (0.42) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
SCHEMBL11654081 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10KDM4ESMN1; SMN2
SCHEMBL10862658 0.78 MEN1 (0.38) ALDH1A1L3MBTL1MAPTKMT2ANPSR1

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 4339/4885L3MBTL1 3838/4885MAPT 3312/4885

“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.