SCHEMBL24710798

SCHEMBL24710798

Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.58
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ TP53 P04637 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MCL1 Q07820 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL24711500 0.83 ESR1 (0.58) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL24711257 0.81 MAPT (0.64) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL24711239 0.81 MAPT (0.75) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL25989651 0.78 RAB9A (0.74) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL19806580 0.78 MAPT (0.85) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL24710850 0.77 MAPT (0.53) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL23380379 0.77 KDM4E (0.78) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL24710781 0.76 MAPT (0.50) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL2436243 0.75 TSHR (0.56) MAPTNPC1RAB9AALDH1A1HSD17B10
SCHEMBL24869256 0.75 MAPT (0.70) MAPTNPC1RAB9ATP53ALDH1A1

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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