SCHEMBL21884581

SCHEMBL21884581

COc1ccc(Cl)cc1-c1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
PNLIP P16233 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
HPGD P15428 1/20 0.37
F10 P00742 1/20 0.37
AR P10275 2/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
S1PR3 Q99500 3/20 0.36
S1PR1 P21453 1/20 0.36
SLC9A1 P19634 1/20 0.36
SCN9A Q15858 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL21884382 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EARPGR
SCHEMBL21885734 0.88 CCNT1 (0.42) ALDH1A1ARSLC9A1PGR
SCHEMBL21884530 0.86 TMPRSS4 (0.40) ALDH1A1TMPRSS4F10LMNAS1PR3
SCHEMBL21884591 0.85 PGR (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL21884641 0.85 TMPRSS4 (0.40) TMPRSS4F10S1PR3S1PR1
SCHEMBL21884659 0.84 PGR (0.38) KCNMA1KDM4EMEN1KMT2APNLIP
SCHEMBL21884418 0.82 S1PR3 (0.37) TMPRSS4S1PR3S1PR1
SCHEMBL21884664 0.82 F2 (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL21884519 0.80 PIK3CA (0.36) ALDH1A1KDM4EMEN1KMT2ATMPRSS4
SCHEMBL21884447 0.80 CNR2 (0.35) TMPRSS4ARS1PR3

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 KCNMA1 1826/4885ALDH1A1 1823/4885KDM4E 2932/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KCNMA1 3907/4885ALDH1A1 4382/4885KDM4E 4324/4885

“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.