SCHEMBL4383943

SCHEMBL4383943

Cc1cccc(CNC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.48
SCN2A Q99250 3/20 0.48
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC40A1 Q9NP59 1/20 0.42
HTT P42858 4/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL2175901 0.87 SCN2A (0.47) SCN10ASCN2AMAPTCYP1A2CYP3A4
SCHEMBL2176692 0.86 MAPT (0.52) SCN10ASCN2AMAPTCYP1A2CYP3A4
SCHEMBL4390910 0.86 MAPT (0.61) SCN10ASCN2AMAPTCYP1A2CYP3A4
SCHEMBL4383676 0.85 MAPT (0.44) SCN10ASCN2AMAPTCYP1A2CYP3A4
SCHEMBL4385832 0.84 CYP1A2 (0.52) SCN10AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5667985 0.82 MAPT (0.54) MAPTSLC40A1POLBSMN1; SMN2PKM
SCHEMBL4390529 0.82 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2172030 0.82 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5668972 0.82 NPC1 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4391359 0.82 MEN1 (0.42) SCN10ASCN2AMAPTCYP1A2CYP3A4

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 SCN10A 3850/4885SCN2A 3385/4885MAPT 4524/4885

“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.