SCHEMBL1713662

SCHEMBL1713662

CNCc1ccc(Oc2cncnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL1713305 0.81 ADRB2 (0.39) ACACBLOXL2CYP3A4KDM4EMAPT
SCHEMBL1713166 0.78 ADRB2 (0.37) ACACBLOXL2CYP3A4KDM4EMAPT
SCHEMBL26761783 0.77 MAPK14 (0.51) LOXL2CYP3A4KDM4EMAPTMMP13
SCHEMBL1108585 0.77 KDM4E (0.61) CYP3A4KDM4EMAPTHTTSMN1; SMN2
SCHEMBL1713357 0.76 CACNA1B (0.39) LOXL2MAPTADRB2MAPK14TP53
SCHEMBL24733025 0.76 ST14 (0.61) LOXL2CYP3A4KDM4EMAPTNOS1
SCHEMBL12635837 0.76 LTA4H (0.54) LOXL2CYP3A4KDM4EMAPTMAPK14
SCHEMBL2237727 0.76 ADRB2 (0.47) LOXL2CYP3A4KDM4EMAPTNOS1
Hydrochloric Acid SCHEMBL4375241 0.74 ST14 (0.59) ACACBLOXL2MAPTMMP2
SCHEMBL6263999 0.74 — —

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-20120232101-A1 Novel Compounds CHAPMAN DAVID (SE) 2012-09-13 — — US disclosed
US-8183251-B2 1-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-{[4-(pyrimidin-5-yloxy)phenyl]methyl}methanesulfonamide; matrix metalloproteinase inhibitors; obstructive airways disease is asthma or chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2012-05-22 — — US disclosed
EP-2097406-B1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS ASTRAZENECA AB (SE) 2011-07-20 — — EP disclosed
US-20080221139-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-11 — — 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-20080221139-A1 Novel Compounds MMP9, MMP2, MMP1 ACACB 2615/4885LOXL2 756/4885CYP3A4 185/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 ACACB 2615/4885LOXL2 756/4885CYP3A4 185/4885

“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.

Send feedback