SCHEMBL18172334

SCHEMBL18172334

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.68
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 3/20 0.50
PTPN1 P18031 1/20 0.50
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 4/20 0.47
GSK3B P49841 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
F10 P00742 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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) HSD17B10KDM4EPTPN1ALDH1A1MAPT
SCHEMBL18172337 0.88 HSD17B10 (0.68) HSD17B10KDM4EKMT2APTPN1ALDH1A1
SCHEMBL18172326 0.83 KDM4E (0.61) KDM4EKMT2APTPN1ALDH1A1MAPT
SCHEMBL18172323 0.80 KDM4E (0.57) HSD17B10KDM4EKMT2AALDH1A1MAPT
SCHEMBL18172339 0.80 KDM4E (0.57) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL184208 0.79 KDM4E (0.61) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL4486670 0.79 KDM4E (0.57) KDM4EKMT2APTPN1ALDH1A1MAPT
SCHEMBL24506216 0.75 HSD17B10 (0.83) HSD17B10KDM4EKMT2AALDH1A1MAPT
SCHEMBL184501 0.74 KDM4E (0.55) KDM4EKMT2AMAPTMEN1LMNA
SCHEMBL24506215 0.73 HSD17B10 (0.78) HSD17B10KDM4EKMT2APTPN1ALDH1A1

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 6 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
CN-107207449-A tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2017-09-26 CN 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 1226/4885KDM4E 3257/4885KMT2A 2782/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 HSD17B10 1226/4885KDM4E 3257/4885KMT2A 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.