SCHEMBL20366365

SCHEMBL20366365

O=C(O)Nc1nccc2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LNPEP Q9UIQ6 2/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 5/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
SHMT2 P34897 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL5053503 0.82 NOS3 (0.46) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL21401838 0.81 PTPN1 (0.40) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL17781286 0.79 NPC1 (0.32) NPC1RAB9AKDM4EHTTATM
SCHEMBL30297976 0.78 ATR (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL16652047 0.78 ATR (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL22020965 0.75 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL16660696 0.75 NOS3 (0.48) NOS3NOS1NOS2LNPEPHTT
SCHEMBL21879335 0.75 KCNQ2 (0.43) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL16651284 0.74 NOS3 (0.47) NOS3NOS1NOS2LNPEPKDM4E
SCHEMBL29848830 0.74 NOS3 (0.47) NOS3NOS1NOS2LNPEPKDM4E

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
US-20230270734-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-08-31 US disclosed
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 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 (4 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-20230270734-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 NOS3 610/4885NOS1 1218/4885NOS2 725/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885NOS2 1901/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 NOS3 3903/4885NOS1 4084/4885NOS2 4130/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885NOS2 1901/4885

“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.