SCHEMBL21945455

SCHEMBL21945455

Oc1cccc(COc2cccc(Cl)c2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.67
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 2/20 0.52
MITF O75030 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ENPP2 Q13822 2/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 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
SCHEMBL6553017 0.88 HPGD (0.66) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL6357776 0.82 MRGPRX4 (0.53) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL2560774 0.81 MRGPRX4 (0.60) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL22480967 0.81 MRGPRX4 (0.60) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL22480854 0.80 MRGPRX4 (1.00) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL22469978 0.79 MRGPRX4 (0.78) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL31568449 0.79 MRGPRX4 (0.78) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL18002412 0.78 MRGPRX4 (0.60) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL22480929 0.78 MRGPRX4 (0.68) MRGPRX4MEN1NPC1HPGDRAB9A
SCHEMBL26162602 0.76 MRGPRX4 (0.58) MRGPRX4MEN1NPC1HPGDRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US 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 (1 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MRGPRX4 4062/4885MEN1 3151/4885NPC1 1062/4885

“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.