SCHEMBL21884774

SCHEMBL21884774

COc1ccc(CNC(=N)NC(=O)c2cc(C#N)ccc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VNN1 O95497 2/20 0.43
MMP3 P08254 1/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
SYK P43405 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40

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 0.90 TMPRSS4 (0.44) ERCC1ERCC4MMP3KDM1AHDAC1
SCHEMBL21884600 0.88 AKR1C3 (0.42) ERCC1ERCC4ALDH1A1SMN1; SMN2MMP3
SCHEMBL21884488 0.85 ERCC1 (0.45) GSK3BERCC1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL21884528 0.84 NAMPT (0.47) GSK3BERCC1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL21884415 0.79 P2RX1 (0.49) ERCC1ERCC4VNN1KMT2AMEN1
SCHEMBL21884601 0.78 TMPRSS4 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL21884388 0.76 TMPRSS4 (0.47) ERCC1ERCC4KMT2AKDM1AMEN1
SCHEMBL21884385 0.76 SCN9A (0.44) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL21884626 0.76 TMPRSS4 (0.42) GSK3BERCC1ERCC4ALDH1A1KMT2A
SCHEMBL21884386 0.75 TMPRSS4 (0.46) ERCC1ERCC4ALDH1A1KMT2AMEN1

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 4 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-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 GSK3B 3527/4885ERCC1 1631/4885ERCC4 2136/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GSK3B 3700/4885ERCC1 1909/4885ERCC4 1580/4885

“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.