SCHEMBL23736199

SCHEMBL23736199

COc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.65
HPGD P15428 4/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
FTO Q9C0B1 1/20 0.65
NPC1 O15118 4/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 3/20 0.64
PKM P14618 2/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64

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
SCHEMBL31679074 1.00 TP53 (0.65) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL23758270 0.89 AURKA (0.55) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL20445326 0.85 SLC2A1 (0.68) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL29528892 0.83 NPC1 (0.70) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL830598 0.83 NPC1 (0.70) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL179157 0.80 NPC1 (0.63) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL13329870 0.80 NPC1 (0.66) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL11903492 0.80 NPC1 (0.66) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL7668642 0.80 LMNA (0.56) MAPTAURKALMNANR1I2CYP1A2
SCHEMBL8337597 0.79 KDM4E (1.00) TP53HPGDALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 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 (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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B TP53 4250/4885HPGD 1152/4885ALDH1A1 2497/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B TP53 4250/4885HPGD 1152/4885ALDH1A1 2497/4885

“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.