SCHEMBL4707348

SCHEMBL4707348

COc1ccc(COCC(=O)NN)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
MAPT P10636 1/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2RL1 P55085 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL16485634 0.87 HTT (0.56) ALDH1A1HTTMAPTCA1CA2
SCHEMBL22759520 0.85 HTT (0.57) ALDH1A1HTTMAPTCA1CA2
SCHEMBL29105149 0.83 RAB9A (0.54) ALDH1A1MAPTCA1CA2NPC1
SCHEMBL7364455 0.81 IDO1 (0.53) ALDH1A1HTTMAPTCA1CA2
SCHEMBL4706402 0.81 HTT (0.56) ALDH1A1HTTMAPTCA1CA2
SCHEMBL2494898 0.80 HTT (0.73) ALDH1A1HTTMAPTCA1CA2
SCHEMBL1171808 0.80 RAB9A (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19002576 0.80 HTT (0.53) ALDH1A1HTTMAPTCA1CA2
SCHEMBL5434584 0.80 ALDH1A1 (0.63) ALDH1A1HTTMAPTCA1CA2
SCHEMBL7720191 0.80 HTT (0.53) ALDH1A1HTTMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486890-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2024-02-02 CN disclosed
CN-117486888-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2024-02-02 CN disclosed
CN-113966336-B Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2023-11-07 CN disclosed
EP-3980424-A1 TRICYCLIC COMPOUNDS AND THEIR USE Hutchison Medipharma Limited (CN) 2022-04-13 EP disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
US-4427590-A Triazolobenzodiazepine derivatives CIBA-GEIGY CORPORATION (US) 1984-01-24 US disclosed
US-4155913-A ANTICONBULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 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 (1 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ALDH1A1 1408/4885HTT 1628/4885MAPT 4635/4885

“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.