SCHEMBL19703763

SCHEMBL19703763

CC(C)NC(=O)CCCC(=O)NCCC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
CAPN1 P07384 1/20 0.35
CASP2 P42575 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
SCHEMBL20034972 0.90 MEN1 (0.46) FAAHMEN1MAPK1KMT2ATSHR
SCHEMBL24294481 0.85 FAAH (0.53) FAAHMEN1MAPK1KMT2ATSHR
SCHEMBL19703895 0.84 SIGMAR1 (0.37) FAAHMEN1MAPK1KMT2ASIGMAR1
SCHEMBL18541216 0.83 MEN1 (0.57) FAAHMEN1MAPK1KMT2ATSHR
SCHEMBL20034806 0.83 EPHX2 (0.47) SIGMAR1TSHREPHX2ALDH1A1RECQL
SCHEMBL9738234 0.80 FAAH (0.63) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL17739924 0.80 FAAH (0.63) FAAHMEN1MAPK1KMT2ATSHR
SCHEMBL9150544 0.80 FAAH (0.63) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL9158547 0.80 FAAH (0.63) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL24429254 0.80 SIGMAR1 (0.46) FAAHSIGMAR1TSHRALDH1A1RECQL

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-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT FAAH 3895/4885MEN1 1913/4885MAPK1 3728/4885

“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.