SCHEMBL21884488

SCHEMBL21884488

N#Cc1ccc(O)c(C(=O)NC(=N)NCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.43
TMPRSS4 Q9NRS4 2/20 0.43
EEF2K O00418 1/20 0.41
PLK4 O00444 1/20 0.41
PIM1 P11309 1/20 0.41
AXL P30530 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL21884511 0.93 TMPRSS4 (0.44) ERCC1ERCC4TMPRSS4CA1P2RX1
SCHEMBL21884600 0.88 AKR1C3 (0.42) ERCC1ERCC4KDM4EALDH1A1HPGD
SCHEMBL21884528 0.88 NAMPT (0.47) ERCC1ERCC4ALDH1A1HPGDHSD17B10
SCHEMBL21884415 0.88 P2RX1 (0.49) ERCC1ERCC4TMPRSS4MEN1KMT2A
SCHEMBL21884774 0.85 GSK3B (0.48) ERCC1ERCC4KDM4EALDH1A1HPGD
SCHEMBL21884527 0.84 TMPRSS4 (0.42) ALDH1A1HPGDTSHRHTTTMPRSS4
SCHEMBL21884388 0.81 TMPRSS4 (0.47) ERCC1ERCC4TMPRSS4MEN1KMT2A
SCHEMBL21884386 0.80 TMPRSS4 (0.46) ERCC1ERCC4ALDH1A1TMPRSS4MEN1
SCHEMBL21884601 0.80 TMPRSS4 (0.44) ALDH1A1HSD17B10TMPRSS4MEN1ALOX12
SCHEMBL21884529 0.80 CDK1 (0.49) KDM4EALDH1A1TMPRSS4MKNK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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 (2 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 ERCC1 1631/4885ERCC4 2136/4885HSP90AA1 1280/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ERCC1 1909/4885ERCC4 1580/4885HSP90AA1 170/4885

“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.