SCHEMBL5353435

SCHEMBL5353435

COc1ccc(C2=NCCc3ccccc32)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.60
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK14 Q16539 3/20 0.55
MAPK9 P45984 2/20 0.55
MAPK8 P45983 1/20 0.55
PKM P14618 1/20 0.54
RAD52 P43351 1/20 0.54
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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 SCHEMBL9311868 0.99 MAPK10 (0.59) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL6715175 0.88 PKM (0.57) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL31011321 0.85 ALDH1A1 (0.76) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL28180887 0.85 ALDH1A1 (0.76) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL9311736 0.83 MAPK10 (0.61) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL7066626 0.82 MAPK10 (0.49) MAPK10LMNAALDH1A1MAPK14MAPK9
Hydrochloric Acid SCHEMBL9312979 0.82 MAPK10 (0.60) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL9312347 0.82 MAPK10 (0.63) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL12567716 0.81 ALDH1A1 (0.65) MAPK10LMNAALDH1A1MAPK14MAPK9
SCHEMBL29498350 0.81 ALDH1A1 (0.65) MAPK10LMNAALDH1A1MAPK14MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3145469-A None JP disclosed
CN-100418955-C Novel Benzo-fused heterocycles ACTELION PHARMOUEUTICALS LTD (CH) 2008-09-17 CN disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
US-RE34630-E Antagonist for platelet activating factor EUROCELTIQUE, S.A. (LU) 1994-06-07 US disclosed
JP-H03145469-A SUBSTITUTED ISOQUINOLINE AND USE OF THE SAME EURO CELTIQUE SA 1991-06-20 JP disclosed
EP-0422328-A2 Substituted isoquinolines and their use Euro-Celtique S.A. (LU) 1991-04-17 EP disclosed
US-4956371-A PLATELET ACTIVATING FACTOR EUROCELTIQUE, S.A. (LU) 1990-09-11 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 (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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 MAPK10 2091/4885LMNA 983/4885ALDH1A1 3710/4885

“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.