SCHEMBL24711257

SCHEMBL24711257

COc1ccc2oc(-c3ccc(C)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ TP53 P04637 5/20 0.60
▸ THRB P10828 3/20 0.60
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ HPGD P15428 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MMP2 P08253 1/20 0.52

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
SCHEMBL6686839 0.88 NPC1 (0.65) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24710850 0.88 MAPT (0.53) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24710781 0.85 MAPT (0.50) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24711500 0.83 ESR1 (0.58) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL5834254 0.82 NPC1 (0.65) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24710798 0.81 MAPT (0.58) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL6683014 0.80 RAB9A (0.72) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24711220 0.80 TLR9 (0.58) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL5834325 0.79 RAB9A (0.61) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL2248814 0.79 NPC1 (0.57) MAPTNPC1RAB9AALDH1A1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 — — 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 (1 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-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 MAPT 4038/4885NPC1 3114/4885RAB9A 805/4885

“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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