SCHEMBL13627042

SCHEMBL13627042

CON(C)C(=O)c1nc(-c2ccc(I)cc2)cn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.36
MAP2K1 Q02750 1/20 0.34
SCN9A Q15858 2/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL10269969 0.88 SMN1; SMN2 (0.40) APPSCN9ACASP3SENP8SENP7
SCHEMBL2104553 0.87 KMT2A (0.40) APPSCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL13643251 0.77 FAAH (0.36) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2617430 0.71 ITGA4 (0.39) APPSCN9A
SCHEMBL2104967 0.70 MAPT (0.35) APPMAP2K1CASP3SENP8SENP7
SCHEMBL2104965 0.70 MAPT (0.35) APPMAP2K1CASP3SENP8SENP7
SCHEMBL379136 0.68 MLYCD (0.56) APPSMN1; SMN2HPGDALDH1A1
SCHEMBL12582233 0.68 RAB9A (0.48) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3461365 0.68 APP (0.36) APPMAP2K1CASP3SENP8SENP7
SCHEMBL2030331 0.67 TLR8 (0.46) APPSCN9ACASP3SENP8SENP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 APP 4396/4885MAP2K1 2270/4885SCN9A 4309/4885

“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.