SCHEMBL20912486

SCHEMBL20912486

Fc1cccc(C2=NCCc3sccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.49
NOS2 P35228 1/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
NISCH Q9Y2I1 1/20 0.41
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MAPK14 Q16539 2/20 0.34
MAPK9 P45984 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL17807494 0.81 NOS2 (0.50) MAPK10NOS2MAPK14
SCHEMBL17807492 0.81 NOS2 (0.53) MAPK10NOS2CHRNB4CHRNA3MAPK9
SCHEMBL16865684 0.78 NOS2 (0.50) MAPK10NOS2CHRNB4CHRNA3NISCH
SCHEMBL17807495 0.78 NOS2 (0.46) NOS2KDM4EMAPT
SCHEMBL16866585 0.77 MAPK10 (0.49) MAPK10NOS2NISCHKDM4ESMN1; SMN2
SCHEMBL1969339 0.76 MAPK10 (0.61) MAPK10NOS2CHRNB4CHRNA3NISCH
SCHEMBL12158615 0.72 NOS2 (0.50) MAPK10NOS2NISCHMAPK9
SCHEMBL31344191 0.72 NOS2 (0.46) NOS2NISCHCYP11B1CYP11B2
SCHEMBL693705 0.69 ACHE (0.42) CHRNB4CHRNA3NISCHKDM4EMEN1
SCHEMBL16866584 0.69 NOS2 (0.46) NOS2NISCHKDM4EMEN1KMT2A

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-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
EP-3471723-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF Memorial Sloan Kettering Cancer Center (US) 2019-04-24 EP 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-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF HHAT, SHH, MBOAT1 MAPK10 828/4885NOS2 3357/4885CHRNB4 4683/4885

“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.