SCHEMBL20552683

SCHEMBL20552683

O=[N+]([O-])c1ccccc1-c1nnn(CCO)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL8223284 0.84 RAB9A (0.57) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL20551695 0.76 MAPT (0.50) ALDH1A1SMN1; SMN2MAOBMEN1KMT2A
SCHEMBL20552627 0.69 TSHR (0.47) ALDH1A1SMN1; SMN2MAOBMEN1KMT2A
SCHEMBL20552691 0.68 ATM (0.51) ALDH1A1MAOBMEN1KMT2AATM
SCHEMBL20552353 0.68 KMT2A (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10551128 0.67 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2MAOBMEN1
SCHEMBL21749262 0.67 ATM (0.43) SMN1; SMN2MAOBMEN1KMT2AATM
SCHEMBL21764731 0.67 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAOBMEN1KMT2A
SCHEMBL20552699 0.67 MAPT (0.42) ALDH1A1MAOBMEN1KMT2AMAPT
SCHEMBL20551735 0.67 TP53 (0.49) ALDH1A1SMN1; SMN2MAOBMEN1KMT2A

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-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 ALDH1A1 3497/4885TDP1 1850/4885SMN1; SMN2 3160/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885TDP1 1850/4885SMN1; SMN2 3160/4885

“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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