SCHEMBL21184087

SCHEMBL21184087

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ STS P08842 3/20 0.46
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ F13A1 P00488 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ TGM3 Q08188 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21183964 0.83 ERBB2 (0.36) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL25804345 0.83 ADRB1 (0.39) MEN1KMT2AMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30354187 0.82 ADRB1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL21184043 0.82 MEN1 (0.46) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL21184106 0.81 MEN1 (0.47) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL21177482 0.81 MEN1 (0.47) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL24090418 0.81 MEN1 (0.47) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL31233474 0.81 MEN1 (0.47) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL21184107 0.80 MEN1 (0.46) MEN1KMT2ASTSMAPTSMN1; SMN2
SCHEMBL21184086 0.79 MEN1 (0.45) MEN1KMT2ASTSMAPTSMN1; SMN2

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-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-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 (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-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

“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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