SCHEMBL1713357

SCHEMBL1713357

CNCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PLAAT3 P53816 1/20 0.34
▸ PLAAT5 Q96KN8 1/20 0.34
▸ PLAAT2 Q9NWW9 1/20 0.34
▸ PLAAT4 Q9UL19 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 0.81 ADRB2 (0.39) CACNA1BSLC6A4KCNH2MAPK14ADRB2
SCHEMBL9901279 0.80 FAAH (0.36) LMNAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL875696 0.80 LTA4H (0.50) LMNAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4373280 0.80 ST14 (0.52) LOXL2
SCHEMBL19773456 0.78 VNN1 (0.36) ADRB2LOXL2MAPT
SCHEMBL1713166 0.78 ADRB2 (0.37) CACNA1BADRB2LMNALOXL2TP53
Hydrochloric Acid SCHEMBL1713787 0.78 MAOB (0.50) LOXL2
SCHEMBL9103247 0.77 FAAH (0.42) PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1713662 0.76 ACACB (0.45) HTR2ASLC6A4KCNH2MAPK14ADRB2
SCHEMBL31137266 0.74 CARM1 (0.48) CACNA1BKCNH2LMNALOXL2MAPT

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 CACNA1B 3077/4885HTR2A 1776/4885SLC6A4 3452/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 CACNA1B 3077/4885HTR2A 1776/4885SLC6A4 3452/4885

“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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