SCHEMBL18545428

SCHEMBL18545428

CCOc1ccc(NCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.56
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ MITF O75030 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ POLB P06746 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL12008945 0.83 KMT2A (0.76) KMT2AMEN1GPR55NPC1MAPT
SCHEMBL12008885 0.76 KMT2A (0.80) KMT2AMEN1GPR55NPC1MAPT
SCHEMBL12008981 0.76 FFAR1 (0.78) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008880 0.75 FFAR1 (0.73) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008949 0.74 KMT2A (0.79) KMT2AMEN1GPR55NPC1MAPT
SCHEMBL12006886 0.73 FFAR1 (0.81) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008952 0.73 FFAR1 (0.70) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008989 0.73 FFAR1 (0.69) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008830 0.73 FFAR1 (0.66) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008943 0.72 KMT2A (0.84) KMT2AMEN1GPR55NPC1MAPT

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885MEN1 4655/4885

“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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