SCHEMBL17407190

SCHEMBL17407190

Cc1ccc(-c2csc(-n3c(C)ccc3C)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.45
▸ NPC1 O15118 7/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ AR P10275 5/20 0.41
▸ KMO O15229 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17407189 0.87 MAPT (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17386577 0.84 CYP11B2 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1765099 0.79 ALDH1A1 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1689576 0.77 RAB9A (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17386575 0.73 MAPT (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1764691 0.67 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL25256788 0.67 SMN1; SMN2 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7681878 0.67 ALDH1A1 (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8256648 0.66 GAA (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19051394 0.66 RAB9A (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 — — 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 RAB9A 2669/4885NPC1 4059/4885MEN1 4179/4885

“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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