SCHEMBL21184086

SCHEMBL21184086

CCC(C#Cc1ccc(Cl)c(Cl)c1)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ STS P08842 2/20 0.42
▸ MAPT P10636 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ TGM3 Q08188 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL21177482 0.87 MEN1 (0.47) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL21184106 0.87 MEN1 (0.47) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL21184107 0.86 MEN1 (0.46) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL21184067 0.83 HRH3 (0.38) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL21184046 0.83 SLC6A2 (0.37) MEN1KMT2AMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL30354183 0.82 SLC6A2 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL24090495 0.80 MEN1 (0.56) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL24090494 0.79 MEN1 (0.42) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL24090510 0.79 MEN1 (0.42) MEN1KMT2ASTSMAPTMAPK1
SCHEMBL21184112 0.79 MEN1 (0.39) MEN1KMT2ASTSMAPTMAPK1

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
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — US disclosed
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — US disclosed
US-11633394-B2 Substituted alkynylene compounds as anticancer agents AURIGENE ONCOLOGY LIMITED (IN) 2023-04-25 — — US disclosed
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-12-09 — — US disclosed
WO-2019142126-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-25 — — 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 (3 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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 MEN1 1649/4885KMT2A 2821/4885STS 2963/4885
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 MEN1 1649/4885KMT2A 2821/4885STS 2963/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 MEN1 1649/4885KMT2A 2821/4885STS 2963/4885

“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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