SCHEMBL3786589

SCHEMBL3786589

NC(=O)c1cc(N)cc(-c2ccccc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BTK Q06187 2/20 0.40
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 2/20 0.38
PDK2 Q15119 2/20 0.38
BCAT2 O15382 1/20 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
SCHEMBL3786916 0.85 BRD4 (0.44) HSD17B10ALDH1A1BRD4L3MBTL1POLB
SCHEMBL3785593 0.81 BAZ2B (0.52) DHODHHSD17B10ALDH1A1L3MBTL1CYP3A4
SCHEMBL3781228 0.80 DHODH (0.68) DHODHHSD17B10L3MBTL1CYP3A4POLB
SCHEMBL3790628 0.78 MKNK1 (0.59) HSD17B10ALDH1A1L3MBTL1CYP3A4POLB
SCHEMBL3791008 0.75 DHODH (0.57) DHODHALDH1A1PARP1MAPTMKNK2
SCHEMBL9352356 0.75 PARP1 (0.56) DHODHHSD17B10ALDH1A1L3MBTL1CYP3A4
SCHEMBL3786549 0.74 DHODH (0.55) DHODHALDH1A1CYP3A4TDP1MKNK1
SCHEMBL3786685 0.74 ALDH1A1 (0.50) HSD17B10ALDH1A1BRD4L3MBTL1CYP3A4
SCHEMBL3786634 0.73 L3MBTL1 (0.50) HSD17B10ALDH1A1BRD4L3MBTL1CYP3A4
SCHEMBL3787547 0.73 L3MBTL1 (0.50) HSD17B10ALDH1A1BRD4L3MBTL1CYP3A4

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 DHODH 869/4885HSD17B10 1100/4885ALDH1A1 4339/4885

“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.