SCHEMBL3781663

SCHEMBL3781663

Cc1ccc(N)c(-c2ccccc2N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 1/20 0.51
GAA P10253 5/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
ELANE P08246 1/20 0.48
HSD17B10 Q99714 3/20 0.44
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL30092409 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL18131295 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL29900990 0.88 TDP1 (0.65) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL7775604 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL3786757 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL29900992 0.85 TDP1 (0.62) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL3788485 0.85 CYP3A4 (0.50) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL31206446 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL28670001 0.84 ELANE (0.47) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15
SCHEMBL18550677 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1SMN1; SMN2ALOX15

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 3838/4885TDP1 4196/4885

“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.