SCHEMBL23854887

SCHEMBL23854887

Cc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 2/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPIA P62937 3/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
CTSA P10619 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL21884627 0.91 PPIA (0.33) LMNATSHRHTTHSD17B10PPIA
SCHEMBL21885698 0.89 PPIA (0.33) PKMYT1PPIACTSAHTR1ADRD2
SCHEMBL21884394 0.89 MAPT (0.34) PKMYT1NPC1LMNATP53TSHR
SCHEMBL21884631 0.85 ESR2 (0.36) PPIAATMF2F10PLG
SCHEMBL21884360 0.83 MEN1 (0.33) NPC1TP53TSHRHTTRAB9A
SCHEMBL23854877 0.82 PPIA (0.39) PPIASLC9A1MEN1KMT2AAR
SCHEMBL21884572 0.82 TAS1R3 (0.33) NPC1TP53TSHRHTTRAB9A
SCHEMBL21884788 0.82 PPIA (0.40) PPIAALDH1A1KLK1KLK5MEN1
SCHEMBL21884434 0.82 L3MBTL1 (0.38) NPC1LMNATP53TSHRHTT
SCHEMBL21884591 0.81 PGR (0.44) LMNAHSD17B10ATMALDH1A1MEN1

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-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

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 PKMYT1 1046/4885NPC1 138/4885LMNA 1819/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PKMYT1 2325/4885NPC1 947/4885LMNA 2213/4885

“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.