SCHEMBL482113

SCHEMBL482113

NC1=Nc2cc(Cl)ccc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3653171 0.91 TSHR (0.39) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL2327323 0.77 TP53 (0.35) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL7817367 0.74 MAPK1 (0.39) ALDH1A1CYP3A4SMN1; SMN2TP53MAPT
SCHEMBL3650748 0.69 NOS3 (0.43) TSHRALDH1A1NOS3NOS1NOS2
SCHEMBL1947186 0.69 NOS1 (0.38) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL20895105 0.69 NOS1 (0.38) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL3655907 0.68 NOS3 (0.41) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL3649471 0.68 CTSD (0.42) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL14743082 0.64 S100A4 (0.44) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15
SCHEMBL17664095 0.61 TP53 (0.36) TSHRALDH1A1CYP3A4SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US claimed
CN-101296731-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN claimed
EP-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP claimed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US claimed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO claimed
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US disclosed
CN-101296925-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
CN-101296731-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
EP-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP disclosed
EP-1937669-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US disclosed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 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-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 TSHR 3749/4885ALDH1A1 1788/4885CYP3A4 370/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 TSHR 3749/4885ALDH1A1 1788/4885CYP3A4 370/4885

“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.