SCHEMBL18674836

SCHEMBL18674836

CCc1ccnc(-c2cc(CC)cc(-c3cc(/C=C/c4ccc(C)s4)ccn3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL18678604 0.79 JMJD6 (0.51) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL18674722 0.78 CBFB (0.38) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL18678813 0.77 KDM5B (0.48) PTGS1PTGS2RAB9ANPC1KDM1A
SCHEMBL18674453 0.77 CYP1A2 (0.44) PTGS1MEN1RAB9AKMT2AMAPT
SCHEMBL199271 0.76 NOS3 (0.53) RAB9ANOS3NOS1NOS2NPC1
SCHEMBL17053248 0.75 NOS3 (0.34) NOS3NOS1NOS2CCR1CCR5
SCHEMBL18775610 0.74 NOS3 (0.39) MEN1KMT2AMAPTNOS3NOS1
SCHEMBL16139764 0.73 PTGS1 (0.53) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL18674452 0.71 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL18674849 0.71 HDAC1 (0.34) MEN1RAB9AKMT2AMAPTNOS3

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 1 patent. 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

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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF CRY2, CACNA1S, CACNA1E PTGS1 3888/4885PTGS2 3275/4885MEN1 202/4885

“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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