SCHEMBL6707964

SCHEMBL6707964

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(NC(=O)N3CCOCC3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
SMO Q99835 2/20 0.35
ALK Q9UM73 2/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 1/20 0.34
DGAT1 O75907 1/20 0.34
CSF1R P07333 2/20 0.33
JAK2 O60674 1/20 0.33
KIT P10721 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6710168 0.89 ALDH1A1 (0.39) HSD17B10KDM4EALDH1A1TSHRRAB9A
SCHEMBL6710075 0.89 MAPT (0.42) HSD17B10KDM4EALDH1A1TSHRRAB9A
SCHEMBL6707719 0.86 ROCK1 (0.41) LCKFYNRAB9AMEN1KMT2A
SCHEMBL6713278 0.86 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1TSHRLCK
SCHEMBL6709196 0.86 THRB (0.46) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL6713413 0.85 PKM (0.33) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6711649 0.85 GRIK1 (0.33)
SCHEMBL6708831 0.84 GRIK1 (0.36) KMT2A
SCHEMBL6711914 0.83 HPGD (0.42) HSD17B10KDM4EALDH1A1RAB9ACYP2D6
SCHEMBL6710197 0.83 GSK3A (0.37) ALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HSD17B10 1990/4885KDM4E 1582/4885ALDH1A1 123/4885

“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.