SCHEMBL3670588

SCHEMBL3670588

[CH2]CC(c1ccccc1)n1cnc2ncncc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
HDAC6 Q9UBN7 2/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.33
ADA P00813 1/20 0.32
OPRK1 P41145 1/20 0.30

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
SCHEMBL28290150 0.78 LTA4H (0.40) LTA4HHDAC6CYP19A1MEN1HPGD
SCHEMBL3670589 0.78 CYP1A2 (0.40) LTA4HHDAC6MEN1HPGDKMT2A
SCHEMBL754082 0.69 ADORA2A (0.47) LTA4HHDAC6MEN1KMT2AHDAC1
SCHEMBL27682122 0.66 ADORA2A (0.38) LTA4HHDAC6HDAC1
SCHEMBL25936242 0.66 ADORA2A (0.38) LTA4HHDAC6HDAC1
SCHEMBL6664459 0.66 HDAC6 (0.58) LTA4HHDAC6
SCHEMBL325140 0.66 HDAC1 (0.61) LTA4HHDAC6MEN1KMT2AHDAC1
SCHEMBL10574342 0.64 KMT2A (0.50) LTA4HMEN1KMT2A
SCHEMBL3671304 0.63 LTA4H (0.50) LTA4HHDAC6HDAC1
SCHEMBL8593200 0.63 LTA4H (0.47) LTA4HHDAC6MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20090291964-A1 Potentiators of Antibacterial Activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-26 US disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 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 (2 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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 LTA4H 1214/4885HDAC6 1681/4885CYP19A1 3113/4885
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 LTA4H 1084/4885HDAC6 702/4885CYP19A1 3756/4885

“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.