SCHEMBL18172369

SCHEMBL18172369

COC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2nnnc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NLRP3 Q96P20 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL357632 0.91 P2RX3 (0.45) ALDH1A1HPGDHTTLMNAPTGS2
SCHEMBL18172449 0.88 PIK3CD (0.42) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL4321368 0.87 P2RY14 (0.45) SMN1; SMN2LMNAPTGS2P2RX3P2RX2
SCHEMBL18172469 0.85 ALDH1A1 (0.40) ALDH1A1HPGDHTTNLRP3SMN1; SMN2
SCHEMBL18172346 0.85 ALDH1A1 (0.40) ALDH1A1HPGDHTTNLRP3SMN1; SMN2
SCHEMBL18172378 0.84 ALDH1A1 (0.39) ALDH1A1HPGDHTTNLRP3SMN1; SMN2
SCHEMBL18172436 0.84 SLC6A3 (0.42) ALDH1A1HPGDHTTNLRP3SMN1; SMN2
SCHEMBL18172419 0.83 P2RY14 (0.43) LMNAPTGS2MAPTPOLBP2RX3
SCHEMBL10243693 0.82 HPGD (0.47) HPGDP2RX3P2RX2
SCHEMBL18172452 0.80 NOTUM (0.40) LMNAPTGS2NFKB1NFKB2RELA

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 1477/4885HPGD 4414/4885HTT 394/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 ALDH1A1 1477/4885HPGD 4414/4885HTT 394/4885

“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.