SCHEMBL29241069

SCHEMBL29241069

ClCc1cc(-c2ccc(I)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
TDP1 Q9NUW8 5/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AURKA O14965 2/20 0.36
DAPK3 O43293 2/20 0.36

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
SCHEMBL3968044 0.84 NOTUM (0.72) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL23863307 0.82 NOTUM (0.70) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL1963850 0.82 NOTUM (0.51) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL2427499 0.82 NOTUM (0.51) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL1437486 0.81 NOTUM (0.68) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL31434746 0.80 NOTUM (0.49) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL5451262 0.78 EPHX2 (0.48) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL15009272 0.78 MAPT (0.54) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL3479473 0.77 MAPT (0.61) NOTUMTDP1MAPTL3MBTL1HPGD
SCHEMBL30223737 0.76 NOTUM (0.45) NOTUMTDP1MAPTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
EP-4382527-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 NOTUM 16/4885TDP1 3993/4885MAPT 3744/4885

“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.