SCHEMBL18172380

SCHEMBL18172380

COC(=O)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
KCNJ1 P48048 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 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
SCHEMBL359422 0.89 TP53 (0.61) TP53KMT2AMEN1MAPTEPHX2
SCHEMBL18172413 0.87 TP53 (0.56) TP53
SCHEMBL4320066 0.85 P2RY14 (0.47) TP53NPC1RAB9AATMNPSR1
SCHEMBL2203748 0.80 TP53 (0.59) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL20533433 0.80 P2RY14 (0.44) TP53NPC1RAB9AATMNPSR1
SCHEMBL18172458 0.79 P2RY14 (0.42) TP53NPC1RAB9AATMNPSR1
SCHEMBL18172449 0.79 PIK3CD (0.42) TP53NPC1RAB9ALMNAKDM4E
SCHEMBL184208 0.78 KDM4E (0.61) NPC1RAB9AATMKMT2AMEN1
SCHEMBL4486670 0.78 KDM4E (0.57) NPC1RAB9AATMKMT2AMEN1
SCHEMBL31401209 0.78 TP53 (0.66) TP53ATMKMT2AMEN1MAPT

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 TP53 4190/4885NPC1 2115/4885RAB9A 1167/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 TP53 4190/4885NPC1 2115/4885RAB9A 1167/4885

“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.