SCHEMBL18674452

SCHEMBL18674452

CCc1ccnc(-c2cc(CC)cc(-c3cc(C#Cc4ccc(C)s4)ccn3)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ FFAR1 O14842 3/20 0.32

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
SCHEMBL18677657 0.79 JMJD6 (0.48) —
SCHEMBL18674747 0.77 CBFB (0.38) —
SCHEMBL18678731 0.77 KDM5B (0.48) —
SCHEMBL199271 0.76 NOS3 (0.53) NOS3NOS1NOS2
SCHEMBL18775610 0.74 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL18674370 0.73 FFAR1 (0.43) FFAR1
SCHEMBL18674836 0.71 PTGS1 (0.40) NOS3NOS1NOS2
SCHEMBL18674456 0.71 FFAR1 (0.31) FFAR1
SCHEMBL14849671 0.70 ASIC3 (0.35) FFAR1
SCHEMBL18674839 0.70 PLA2G4A (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 — — US disclosed
US-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION FUJIFILM CORPORATION (JP) 2017-03-30 — — 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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF CRY2, CACNA1S, CACNA1E NOS3 3097/4885NOS1 2997/4885NOS2 2570/4885
US-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION CRY2, CRY1, MYL4 NOS3 4117/4885NOS1 3748/4885NOS2 3374/4885

“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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