SCHEMBL18172329

SCHEMBL18172329

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
PLAU P00749 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CNR1 P21554 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTPN11 Q06124 1/20 0.41

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
SCHEMBL18172339 0.87 KDM4E (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18172330 0.85 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18172328 0.82 HSD17B10 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL27462605 0.81 SLC6A3 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18172337 0.80 HSD17B10 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16547253 0.76 FABP1 (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18172349 0.75 MAPT (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18172338 0.75 NOTUM (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18496642 0.75 SLC6A3 (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28883 0.73 L3MBTL1 (0.79) MAPTMEN1KMT2AALDH1A1LMNA

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 MAPT 1597/4885MEN1 2331/4885KMT2A 2782/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 MAPT 1597/4885MEN1 2331/4885KMT2A 2782/4885

“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.