SCHEMBL22648463

SCHEMBL22648463

CC(C)c1cccc2c(NC(=O)Nc3cccc(F)c3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
TRPV1 Q8NER1 2/20 0.57
SHMT2 P34897 1/20 0.56
RECQL P46063 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MTOR P42345 1/20 0.51
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL26417399 0.83 MEN1 (0.61) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL26417409 0.80 TRPV1 (0.61) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL22648464 0.80 MEN1 (0.57) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL30851500 0.77 RAB9A (0.79) MEN1KMT2AMAPTRAB9AMTOR
SCHEMBL27193042 0.77 RAB9A (0.79) MEN1KMT2AMAPTRAB9AMTOR
SCHEMBL13757702 0.74 PARP14 (0.55) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL31616405 0.73 MTOR (0.67) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL17049553 0.73 MTOR (0.71) MEN1KMT2AMAPTRAB9ACA12
SCHEMBL23831937 0.73 MEN1 (0.80) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL30802670 0.73 MEN1 (0.80) MEN1KMT2AMAPTRAB9ATRPV1

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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 MEN1 3784/4885KMT2A 3822/4885MAPT 717/4885

“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.