SCHEMBL13436348

SCHEMBL13436348

CNCCOc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
HTR1B P28222 3/20 0.48
HTR1D P28221 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
MPO P05164 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.38
WEE1 P30291 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
Hydrochloric Acid SCHEMBL3588404 0.99 ESR2 (0.52) ESR2HTR1BHTR1DSMN1; SMN2MPO
SCHEMBL13436369 0.96 ESR2 (0.52) ESR2HTR1BHTR1DSMN1; SMN2MPO
Hydrochloric Acid SCHEMBL3580223 0.95 ESR2 (0.51) ESR2HTR1BHTR1DSMN1; SMN2MPO
SCHEMBL3591275 0.84 ESR2 (0.58) ESR2SMN1; SMN2MPOL3MBTL1KDM4E
SCHEMBL3591758 0.84 ESR2 (0.58) ESR2SMN1; SMN2MPOL3MBTL1LMNA
SCHEMBL3593552 0.78 ESR2 (0.65) ESR2SMN1; SMN2MPOALDH1A1LMNA
SCHEMBL3640202 0.77 ACHE (0.51) ESR2KDM4EALDH1A1HRH3
SCHEMBL9968626 0.77 LTA4H (0.50) ESR2
Hydrochloric Acid SCHEMBL3605790 0.76 LTA4H (0.49) ESR2
SCHEMBL9968720 0.76 LTA4H (0.57) ESR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ESR2 1449/4885HTR1B 1414/4885HTR1D 2348/4885

“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.