SCHEMBL18172335

SCHEMBL18172335

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
IKBKB O14920 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
PTGS1 P23219 1/20 0.46
ATM Q13315 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ERN1 O75460 1/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 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
SCHEMBL4486670 0.89 KDM4E (0.57) KDM4EIKBKBMAPTALDH1A1HPGD
SCHEMBL184208 0.89 KDM4E (0.61) KDM4EIKBKBMAPTALDH1A1HPGD
SCHEMBL8410461 0.87 ATAD2 (0.60) KDM4EATAD2MAPTALDH1A1HPGD
SCHEMBL310741 0.86 ATAD2 (0.58) KDM4EATAD2MAPTALDH1A1HPGD
SCHEMBL21253164 0.84 ATAD2 (0.50) KDM4EATAD2MAPTALDH1A1HPGD
SCHEMBL18172349 0.84 MAPT (0.50) KDM4EATAD2MAPTALDH1A1HPGD
SCHEMBL2723920 0.84 TSHR (0.53) KDM4EATAD2MAPTALDH1A1HPGD
SCHEMBL18172327 0.84 CFTR (0.51) ATAD2PTGS1
SCHEMBL184501 0.83 KDM4E (0.55) KDM4EIKBKBMAPTNPC1RAB9A
SCHEMBL4500103 0.81 NOTUM (0.53) KDM4EIKBKBMAPTALDH1A1HPGD

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 KDM4E 3257/4885IKBKB 3340/4885ATAD2 3907/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 KDM4E 3257/4885IKBKB 3340/4885ATAD2 3907/4885

“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.