SCHEMBL18003284

SCHEMBL18003284

O=Cc1cccc(Cc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ DAO P14920 3/20 0.43
▸ MAOA P21397 8/20 0.39
▸ MAOB P27338 8/20 0.39
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL18003466 0.81 DAO (0.41) DAOCSF1RTRPV4
SCHEMBL18003065 0.80 MAOA (0.61) MRGPRX4MAOAMAOBALDH1A1POLB
SCHEMBL30644996 0.79 SRD5A2 (0.44) DAOMAOAMAOBALDH1A1POLB
SCHEMBL20546776 0.79 SRD5A2 (0.44) DAOMAOAMAOBALDH1A1POLB
SCHEMBL15648282 0.78 LCK (0.43) MRGPRX4DAOMAOAMAOBCSF1R
SCHEMBL9607470 0.78 DAO (0.43) DAOMAOAMAOBGRIN1GRIN2B
SCHEMBL6852425 0.76 ALDH1A1 (0.52) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL18001841 0.76 DAO (0.49) DAOMAOAMAOBGRIN1GRIN2B
SCHEMBL30644998 0.76 DAO (0.49) DAOMAOAMAOBGRIN1GRIN2B
SCHEMBL336320 0.75 TRPV4 (0.52) MRGPRX4DAOALDH1A1POLBL3MBTL1

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 MRGPRX4 4062/4885DAO 732/4885MAOA 4309/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885DAO 732/4885MAOA 4309/4885

“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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