SCHEMBL18172337

SCHEMBL18172337

COC(=O)c1cc(NC(=O)C2CC2)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
RHOA P61586 1/20 0.47
HPGD P15428 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MGLL Q99685 2/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLAU P00749 1/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL18172324 0.89 HSD17B10 (0.70) HSD17B10ALDH1A1KDM4EMAPTLMNA
SCHEMBL18172334 0.88 HSD17B10 (0.68) HSD17B10ALDH1A1KDM4EATMMAPT
SCHEMBL18172330 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL18172329 0.80 MAPT (0.48) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL18172328 0.80 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDATM
SCHEMBL27462605 0.79 SLC6A3 (0.51) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL24506216 0.75 HSD17B10 (0.83) HSD17B10ALDH1A1KDM4EHPGDMAPT
SCHEMBL24506215 0.73 HSD17B10 (0.78) HSD17B10ALDH1A1KDM4EHPGDMAPT
SCHEMBL9342656 0.73 KMT2A (0.72) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL18172349 0.73 MAPT (0.50) ALDH1A1KDM4EHPGDMAPTMEN1

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 HSD17B10 1226/4885ALDH1A1 1477/4885KDM4E 3257/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 HSD17B10 1226/4885ALDH1A1 1477/4885KDM4E 3257/4885

“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.