SCHEMBL18004232

SCHEMBL18004232

N#Cc1[nH]nnc1-c1cc(Cl)cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.40
▸ ESRRA P11474 9/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ CNR1 P21554 1/20 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
SCHEMBL18004327 0.92 NR1H2 (0.40) SLC6A4TDP1L3MBTL1SRD5A1NR1H2
SCHEMBL18004211 0.91 ESRRA (0.36) SLC6A4ESRRASRD5A1MEN1NPC1
SCHEMBL18004306 0.90 IDO1 (0.38) SLC6A4TDP1L3MBTL1NR1H2ALOX5AP
SCHEMBL18004399 0.89 ESRRA (0.35) SLC6A4ESRRASRD5A1MEN1NPC1
SCHEMBL18004446 0.89 ESRRA (0.35) SLC6A4ESRRASRD5A1MEN1NPC1
SCHEMBL18004289 0.86 NAAA (0.39) SLC6A4ESRRATDP1SRD5A1NR1H2
SCHEMBL18004438 0.86 CNR1 (0.43) SLC6A4TDP1L3MBTL1CNR1
SCHEMBL18004193 0.83 NR1H2 (0.44) SLC6A4L3MBTL1NR1H2FFAR4
SCHEMBL18004319 0.83 IDO1 (0.39) SLC6A4ESRRASRD5A1NR1H2ALOX5AP
SCHEMBL16399270 0.83 SRD5A2 (0.41) SRD5A1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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 SLC6A4 3181/4885ESRRA 1413/4885TDP1 2138/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SLC6A4 3181/4885ESRRA 1413/4885TDP1 2138/4885

“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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