SCHEMBL23796017

SCHEMBL23796017

CC(C)(C)[S+]([O-])/N=C\c1cccc2nc[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4537907 0.73 HPGD (0.38) PARP1MAPTNPC1RAB9AKDM4E
SCHEMBL23796440 0.73 NOS1 (0.40) MAPTKDM4EKMT2A
SCHEMBL4684391 0.69 KDM4E (0.42) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4684388 0.69 KDM4E (0.42) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4684386 0.69 KDM4E (0.42) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4684389 0.69 KDM4E (0.42) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4684384 0.69 KDM4E (0.42) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4935604 0.69 GPR3 (0.35) MAPTKDM4E
SCHEMBL15630922 0.69 GPR3 (0.35) MAPTKDM4E
SCHEMBL4935598 0.69 GPR3 (0.35) MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 — — US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 — — EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 — — CN 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 PARP1 360/4885MAPT 2073/4885NPC1 1261/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 PARP1 360/4885MAPT 2073/4885NPC1 1261/4885

“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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