SCHEMBL21842444

SCHEMBL21842444

CC(=O)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 8/20 0.77
TP53 P04637 6/20 0.77
MAPT P10636 4/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
HIF1A Q16665 2/20 0.76
HSD17B10 Q99714 2/20 0.76
JMJD7 P0C870 1/20 0.76
CYP2D6 P10635 1/20 0.76
TEAD4 Q15561 1/20 0.73
GRK6 P43250 1/20 0.67
LMNA P02545 3/20 0.65
KDM4E B2RXH2 2/20 0.65
USP2 O75604 2/20 0.65
HTT P42858 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65

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
SCHEMBL23875092 0.90 TP53 (0.81) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL21842443 0.90 P4HB (0.74) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL23875094 0.90 P4HB (0.74) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL13836461 0.87 P4HB (1.00) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL5090192 0.86 TP53 (1.00) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL23854803 0.84 TP53 (0.82) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL13836221 0.84 P4HB (1.00) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL15783085 0.84 TP53 (0.82) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL21842237 0.84 P4HB (0.75) P4HBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL15783114 0.84 P4HB (1.00) P4HBTP53MAPTSMN1; SMN2CYP2C9

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-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS 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
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061476-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-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P4HB 2252/4885TP53 6/4885MAPT 1754/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 P4HB 2832/4885TP53 4180/4885MAPT 2458/4885

“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.