SCHEMBL18844573

SCHEMBL18844573

CC(C)(C)OC(=O)Nc1cc(-c2ccc(I)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
CHRM1 P11229 1/20 0.45
THRB P10828 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC10 Q969S8 2/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
SCD O00767 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL18844361 0.82 MAPT (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16156047 0.80 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5319788 0.75 ALDH1A1 (0.54) SMN1; SMN2HDAC1HDAC3HDAC6HDAC10
SCHEMBL30640552 0.74 KDR (0.61) CHRM1HDAC1HDAC3HDAC6HDAC10
SCHEMBL27843675 0.74 MEN1 (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31215050 0.74 MEN1 (0.80) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL892659 0.74 SCD (0.53) MAPTSMN1; SMN2HDAC1HDAC3HDAC6
SCHEMBL21339930 0.72 CHRM1 (0.52) CHRM1HDAC1HDAC3HDAC6HDAC10
SCHEMBL2185599 0.72 CNR2 (0.51) SCD
SCHEMBL22926122 0.71 POLB (0.47) NPC1RAB9ASMN1; SMN2CHRM1HDAC6

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-20170129863-A1 IMINOSYDNONE DERIVATIVES FOR CONJUGATION AND RELEASE OF COMPOUNDS OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-05-11 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-20170129863-A1 IMINOSYDNONE DERIVATIVES FOR CONJUGATION AND RELEASE OF COMPOUNDS OF INTEREST IPO5, IDE, IMPDH1 MEN1 233/4885KMT2A 4239/4885NPC1 212/4885

“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.