SCHEMBL6319772

SCHEMBL6319772

C#CCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
HRH1 P35367 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL347893 0.76 LOXL2 (0.50) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL254617 0.76 MEN1 (0.52) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL151822 0.76 LOXL2 (0.68) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL103124 0.75 ALDH1A1 (0.48) LOXL2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2574518 0.75
SCHEMBL30292864 0.74 CHRNA7 (0.57) HRH1CYP1A2CYP2D6HRH3TDP1
SCHEMBL7052160 0.74 CHRNA7 (0.57) HRH1CYP1A2CYP2D6HRH3TDP1
Water SCHEMBL31124596 0.73 LOXL2 (0.65) LOXL2HRH1CYP1A2CYP3A4CYP2D6
Water SCHEMBL31124597 0.73 LOXL2 (0.65) LOXL2HRH1CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL9306930 0.73 LOXL2 (0.65) LOXL2HRH1CYP1A2CYP3A4CYP2D6

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
CN-105793262-B Two cycloalkyne derivatives and application thereof 新加坡科技研究局 2019-09-03 CN disclosed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 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-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP LOXL2 673/4885HRH1 1272/4885HDAC8 2760/4885

“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.