SCHEMBL18006193

SCHEMBL18006193

N#Cc1[nH]nnc1-c1cc(OCCCC2CCCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32
▸ MGAT2 Q10469 1/20 0.30
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ NFE2L2 Q16236 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
SCHEMBL18004311 0.95 NFE2L2 (0.35) KDM1AMAOBHPGDCHRNB1CHRNB2
SCHEMBL18003785 0.91 KDM1A (0.41) KDM1AMAOBCHRNB1CHRNB2CHRNB4
SCHEMBL18003508 0.91 KDM1A (0.41) KDM1AMAOBCHRNB1CHRNB2CHRNB4
SCHEMBL18003504 0.90 KDM1A (0.41) KDM1AMAOBCHRNB1CHRNB2CHRNB4
SCHEMBL18003788 0.85 KDM1A (0.42) KDM1AMAOBCHRNB1CHRNB2CHRNB4
SCHEMBL18004058 0.83 SLC6A2 (0.39) CHEK1KDM1AMAOBCHRNB1CHRNB2
SCHEMBL26070215 0.83 CTSK (0.38) HPGD
SCHEMBL16398998 0.83 MGAT2 (0.36) KDM1AMAOBMGAT2
SCHEMBL18006185 0.82 CTSK (0.34) KDM1AMAOB
SCHEMBL18004008 0.82 SLC6A2 (0.40) CHEK1KDM1AMAOBCHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CHEK1 923/4885KDM1A 1772/4885MAOB 3664/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CHEK1 923/4885KDM1A 1772/4885MAOB 3664/4885

“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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