SCHEMBL1713305

SCHEMBL1713305

CNCc1ccc(Oc2cnc(C)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK14 Q16539 2/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL1713166 0.83 ADRB2 (0.37) ADRB2LOXL2CYP3A4KDM4EMAPT
SCHEMBL1713357 0.81 CACNA1B (0.39) ADRB2LOXL2MAPTSLC6A4KCNH2
SCHEMBL1713662 0.81 ACACB (0.45) ADRB2LOXL2CYP3A4KDM4EMAPT
SCHEMBL26761783 0.80 MAPK14 (0.51) LOXL2CYP3A4KDM4EMAPTSLC6A4
Hydrochloric Acid SCHEMBL1713702 0.79 KDM4E (0.36) ADRB2LOXL2CYP3A4KDM4EMAPT
SCHEMBL9889512 0.76 PPARA (0.41) ACACBACACATDP1
SCHEMBL1108585 0.76 KDM4E (0.61) CYP3A4KDM4EMAPTSLC6A4MAPK14
SCHEMBL6346128 0.75 KDM4E (0.41) ADRB2LOXL2CYP3A4KDM4EMAPT
SCHEMBL24733025 0.74 ST14 (0.61) LOXL2CYP3A4KDM4EMAPTHTT
SCHEMBL12635837 0.74 LTA4H (0.54) LOXL2CYP3A4KDM4EMAPTSLC6A4

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 6 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
EP-2097406-A1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS Astra Zeneca AB (SE) 2009-09-09 — — EP disclosed
US-20080221139-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
WO-2008065393-A1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS ASTRAZENECA AB (SE) 2008-06-05 — — WO 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 ADRB2 1085/4885LOXL2 756/4885CYP3A4 185/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 ADRB2 1085/4885LOXL2 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.

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