SCHEMBL3789413

SCHEMBL3789413

Nc1ccc(-c2ccc(F)c(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
KIF11 P52732 2/20 0.53
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAP4K4 O95819 1/20 0.49
HSD17B10 Q99714 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A1 P04798 1/20 0.43
WDR5 P61964 1/20 0.40
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 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
SCHEMBL8181149 0.90 TDP1 (0.55) TAAR1KIF11TDP1CYP3A4TP53
SCHEMBL15234523 0.86 CYP1A1 (0.51) TAAR1KIF11TDP1TP53ALDH1A1
SCHEMBL15234491 0.86 CYP1A1 (0.51) TAAR1KIF11TDP1TP53ALDH1A1
SCHEMBL3790222 0.84 HSD17B10 (0.57) TAAR1TDP1CYP3A4ALDH1A1MAP4K4
SCHEMBL22035759 0.84 HSD17B10 (0.57) TAAR1TDP1CYP3A4ALDH1A1MAP4K4
SCHEMBL14054493 0.83 KIF11 (0.61) TAAR1KIF11TDP1CYP3A4TP53
SCHEMBL31388656 0.83 KIF11 (0.61) TAAR1KIF11TDP1CYP3A4TP53
SCHEMBL30758809 0.81 KIF11 (0.59) TAAR1KIF11TDP1CYP3A4TP53
Sulfur Dioxide SCHEMBL28392467 0.81 MAP4K4 (0.49) TAAR1KIF11TDP1CYP3A4TP53
SCHEMBL3790335 0.81 KIF11 (0.59) TAAR1KIF11TDP1CYP3A4TP53

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 TAAR1 1746/4885KIF11 3999/4885TDP1 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.