SCHEMBL21884597

SCHEMBL21884597

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CNR2 P34972 1/20 0.35
PPIA P62937 1/20 0.35
AR P10275 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
F10 P00742 2/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL21884524 0.89 MMP3 (0.34) MAOAMAOBAR
SCHEMBL21884453 0.88 KDM4E (0.34) ALDH1A1ARKDM4EMEN1LMNA
SCHEMBL21884588 0.88 CHUK (0.35) ALDH1A1ARKDM4EMEN1LMNA
SCHEMBL21884520 0.88 AR (0.35) ALDH1A1MAOBCNR2ARLMNA
SCHEMBL21884519 0.88 PIK3CA (0.36) ALDH1A1ARKDM4EMEN1LMNA
SCHEMBL21884452 0.87 XDH (0.41) ALDH1A1CNR2AR
SCHEMBL21884631 0.86 ESR2 (0.36) PPIAARMEN1KMT2ASMN1; SMN2
SCHEMBL21884455 0.86 CNR2 (0.40) ALDH1A1CNR2PPIAARKDM4E
SCHEMBL21884670 0.86 KDM4E (0.43) ALDH1A1ARKDM4EMEN1LMNA
SCHEMBL21884439 0.85 ALDH1A1 (0.36) ALDH1A1MAOAMAOBCNR2PPIA

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 ALDH1A1 1823/4885MAOA 2348/4885MAOB 2027/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ALDH1A1 4382/4885MAOA 4473/4885MAOB 4461/4885

“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.