SCHEMBL21884443

SCHEMBL21884443

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1cccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPIA P62937 6/20 0.38
AR P10275 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
P2RX1 P51575 1/20 0.31
CNR2 P34972 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
S1PR3 Q99500 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL21884360 0.90 MEN1 (0.33) PPIAARMEN1KMT2AP2RX1
SCHEMBL21884572 0.89 TAS1R3 (0.33) PPIAMEN1KMT2AP2RX1CNR2
SCHEMBL23854877 0.89 PPIA (0.39) PPIAARMEN1KMT2ACNR2
SCHEMBL21884788 0.89 PPIA (0.40) PPIAARMEN1KMT2ACNR2
SCHEMBL21884409 0.88 PPIA (0.36) PPIAARMEN1KMT2AALDH1A1
SCHEMBL21884438 0.87 PPIA (0.33) PPIAARMEN1KMT2AP2RX1
SCHEMBL21884355 0.87 AR (0.41) PPIAAR
SCHEMBL23854869 0.87 PPIA (0.36) PPIAMEN1KMT2AESR1ESR2
SCHEMBL23854867 0.87 PPIA (0.36) PPIAMEN1KMT2AESR1ESR2
SCHEMBL21884544 0.87 PPIA (0.36) PPIAMEN1KMT2AESR1ESR2

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 PPIA 1961/4885AR 3072/4885MEN1 3141/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885AR 4315/4885MEN1 2652/4885

“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.