SCHEMBL20445432

SCHEMBL20445432

COc1ccccc1-c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 16/20 0.81
▸ PDE5A O76074 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ FTO Q9C0B1 1/20 0.58
▸ METAP2 P50579 1/20 0.53
▸ METAP1 P53582 1/20 0.53
▸ CBFB Q13951 1/20 0.53

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
SCHEMBL23758274 0.89 AMY1A (0.64) AMY1APDE5A
SCHEMBL1483091 0.83 AMY1A (0.65) AMY1APDE5AKDM4EALDH1A1
SCHEMBL3332738 0.83 AMY1A (0.67) AMY1APDE5AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3194238 0.82 PDE5A (0.62) AMY1APDE5AKDM4EMEN1ALDH1A1
SCHEMBL31027930 0.82 AMY1A (0.76) AMY1APDE5AKDM4EALDH1A1TP53
SCHEMBL2096956 0.82 AMY1A (0.76) AMY1APDE5AKDM4EALDH1A1TP53
SCHEMBL3168707 0.79 HDAC6 (0.62) AMY1APDE5ATP53MAPT
SCHEMBL1482545 0.79 PDE5A (0.59) AMY1APDE5AKDM4EALDH1A1CYP3A4
SCHEMBL1248687 0.79 HDAC6 (0.61) AMY1ATP53MAPTKMT2A
SCHEMBL7393993 0.78 AMY1A (0.64) AMY1AKDM4EMEN1ALDH1A1TP53

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-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 — — US disclosed
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
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 — — 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 (3 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-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B AMY1A 2750/4885PDE5A 295/4885KDM4E 4354/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B AMY1A 2750/4885PDE5A 295/4885KDM4E 4354/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B AMY1A 2750/4885PDE5A 295/4885KDM4E 4354/4885

“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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