SCHEMBL18004134

SCHEMBL18004134

Clc1ccc(Oc2ccc3ncsc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ IKBKB O14920 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL8517411 0.85 IKBKB (0.55) NPC1RAB9AMEN1KMT2AIKBKB
SCHEMBL21944747 0.83 TDP1 (0.45) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL14127183 0.80 NPC1 (0.54) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL593507 0.80 NPC1 (0.54) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL18003523 0.80 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL24155396 0.77 DYRK1A (0.60) NPC1RAB9AMEN1KMT2APOLB
Ethane SCHEMBL27343160 0.77 NPC1 (0.51) NPC1RAB9AMEN1KMT2ADRD2
Benzene SCHEMBL27558971 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5999639 0.76 SLC6A4 (0.41) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL23133 0.75 NPC1 (0.57) NPC1RAB9AMEN1KMT2APOLB

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 NPC1 1062/4885RAB9A 4775/4885MEN1 3151/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885RAB9A 4775/4885MEN1 3151/4885

“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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