SCHEMBL21884600

SCHEMBL21884600

Cc1ccc(CNC(=N)NC(=O)c2cc(C#N)ccc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.42
TMPRSS4 Q9NRS4 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
EPHX2 P34913 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
KLKB1 P03952 2/20 0.41
KLK1 P06870 2/20 0.41
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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) TMPRSS4MMP2MMP3EPHX2ERCC1
SCHEMBL21884488 0.88 ERCC1 (0.45) TMPRSS4MMP2ERCC1ERCC4MAPT
SCHEMBL21884774 0.88 GSK3B (0.48) MMP3ERCC1ERCC4KDM1AHDAC1
SCHEMBL21884528 0.86 NAMPT (0.47) TMPRSS4ERCC1ERCC4ALDH1A1HPGD
SCHEMBL21884415 0.81 P2RX1 (0.49) TMPRSS4ERCC1ERCC4AKR1B1
SCHEMBL21884601 0.80 TMPRSS4 (0.44) TMPRSS4ALDH1A1
SCHEMBL21884388 0.79 TMPRSS4 (0.47) TMPRSS4ERCC1ERCC4KDM1A
SCHEMBL21884626 0.78 TMPRSS4 (0.42) TMPRSS4ERCC1ERCC4ALDH1A1
SCHEMBL21884529 0.78 CDK1 (0.49) TMPRSS4KDM1AMAPTKDM4EALDH1A1
SCHEMBL21884386 0.78 TMPRSS4 (0.46) TMPRSS4ERCC1ERCC4ALDH1A1

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 AKR1C3 859/4885TMPRSS4 1380/4885MMP2 711/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AKR1C3 4601/4885TMPRSS4 3136/4885MMP2 3725/4885

“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.