SCHEMBL1713166

SCHEMBL1713166

CCc1ncc(Oc2ccc(CNC)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ IL6 P05231 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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 0.83 ADRB2 (0.39) ADRB2LOXL2ALDH1A1TP53POLB
SCHEMBL1713357 0.78 CACNA1B (0.39) ADRB2LOXL2TP53MAPTCACNA1B
SCHEMBL1713662 0.78 ACACB (0.45) ADRB2LOXL2ALDH1A1TP53POLB
SCHEMBL1713168 0.77 TAAR1 (0.49) —
SCHEMBL12967309 0.76 L3MBTL1 (0.42) ALDH1A1TDP1KDM4EMMP13
Hydrochloric Acid SCHEMBL1713702 0.76 KDM4E (0.36) ADRB2LOXL2TP53POLBKDM4E
SCHEMBL1108585 0.73 KDM4E (0.61) ALDH1A1POLBKDM4ECYP3A4MAPT
SCHEMBL26761783 0.73 MAPK14 (0.51) LOXL2ALDH1A1POLBTDP1KDM4E
SCHEMBL1713688 0.72 KDM4E (0.50) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL24733025 0.72 ST14 (0.61) LOXL2ALDH1A1KDM4ECYP3A4MAPT

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 756/4885ALDH1A1 282/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 ADRB2 1085/4885LOXL2 756/4885ALDH1A1 282/4885

“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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