SCHEMBL21842240

SCHEMBL21842240

CC(C)NC(c1ccccc1)c1ccc2cccnc2c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 5/20 0.70
▸ RCE1 Q9Y256 3/20 0.70
▸ TP53 P04637 5/20 0.67
▸ CYP2C9 P11712 4/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ HIF1A Q16665 4/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ JMJD7 P0C870 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ SLC2A1 P11166 1/20 0.65
▸ HSP90AA1 P07900 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CYP1A2 P05177 2/20 0.61
▸ HPGD P15428 2/20 0.61

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
SCHEMBL21842239 0.86 P4HB (0.74) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842238 0.86 P4HB (0.74) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842498 0.84 P4HB (0.66) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11955293 0.83 P4HB (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842473 0.83 P4HB (0.81) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL13236178 0.83 KDM4E (0.78) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL1816246 0.82 RAB9A (0.82) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842484 0.82 P4HB (0.67) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL14065375 0.82 P4HB (0.63) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842241 0.81 P4HB (0.66) P4HBRCE1TP53CYP2C9CYP2C19

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-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
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS 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 2252/4885RCE1 360/4885TP53 6/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 P4HB 2832/4885RCE1 2434/4885TP53 4180/4885

“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.

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