SCHEMBL29519642

SCHEMBL29519642

O=C(O)c1cncc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ DDO Q99489 1/20 0.57
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ TPMT P51580 2/20 0.44
▸ APP P05067 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ RAF1 P04049 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GFER P55789 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
SCHEMBL2112627 1.00 HCAR2 (0.57) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27839305 0.84 HTT (0.46) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL51830 0.83 HCAR2 (0.70) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19987838 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Fluoride SCHEMBL21331909 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1117746 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7124062 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL21332093 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7661020 0.80 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5700141 0.80 MKNK1 (0.47) HCAR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 — — US disclosed
EP-4212511-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2023-07-19 — — EP disclosed
WO-2022052926-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 广州再极医药科技有限公司 2022-03-17 — — 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 (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-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 HCAR2 2544/4885ALDH1A1 243/4885KDM4E 610/4885

“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.

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