SCHEMBL18172330

SCHEMBL18172330

COC(=O)c1cc(NC(C)=O)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.48
PLAU P00749 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
PTPN11 Q06124 1/20 0.43
PTGER1 P34995 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43

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
SCHEMBL357231 0.87 KDM4E (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL18172326 0.86 KDM4E (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172328 0.85 HSD17B10 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172329 0.85 MAPT (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27462605 0.85 SLC6A3 (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172337 0.83 HSD17B10 (0.68) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8036267 0.79 KDM4E (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11362354 0.79 KDM4E (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11393664 0.79 LMNA (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172349 0.78 MAPT (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A

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
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US disclosed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 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-10577332-B2 Tetrazole derivatives MC2R, MC3R, GABRR3 ALDH1A1 1477/4885KDM4E 3257/4885MAPT 1597/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 ALDH1A1 1477/4885KDM4E 3257/4885MAPT 1597/4885

“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.