SCHEMBL21184102

SCHEMBL21184102

CN(C)/C=C(\C#N)C(=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
EGFR P00533 1/20 0.35
MEN1 O00255 2/20 0.35
GPX4 P36969 1/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
GAA P10253 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL21177650 0.90 LMNA (0.39) LMNACYP2C9KMT2ARAB9ASMN1; SMN2
SCHEMBL27299791 0.77 ALDH1A1 (0.38) KMT2ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL21177572 0.75 SMN1; SMN2 (0.42) LMNACYP2C9KMT2ARAB9ASMN1; SMN2
SCHEMBL31160508 0.74 CHRNB2 (0.41) KMT2ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL28976097 0.69 ITK (0.39) KMT2ARAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL28552139 0.69 ALDH1A1 (0.77) KMT2ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL19017644 0.69 ALDH1A1 (0.43) KMT2ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL12583398 0.67 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL9396214 0.67 CA2 (0.59) CA2CA12CA1CA9CHKA
SCHEMBL20551511 0.67 CYP2C9 (0.55) LMNACYP2C9KMT2ARAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902403-B Substituted alkynylene compounds as anticancer agents 奥里吉恩发现科技有限公司 2024-05-17 CN disclosed
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-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
CN-111902403-A Substituted alkynylene compounds as anticancer agents 奥里吉恩发现科技有限公司 2020-11-06 CN 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 LMNA 1512/4885CYP2C9 3082/4885KMT2A 2821/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 LMNA 1512/4885CYP2C9 3082/4885KMT2A 2821/4885

“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.