SCHEMBL21179425

SCHEMBL21179425

C#CC(C)NC(=O)c1ccc(NC(=O)C=C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.50
F13A1 P00488 1/20 0.46
LMNA P02545 1/20 0.46
TGM1 P22735 1/20 0.46
TGM3 Q08188 1/20 0.46
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CDK14 O94921 1/20 0.39
CCNY Q8ND76 1/20 0.39
NAMPT P43490 2/20 0.39
IRAK1 P51617 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL28630813 0.77 KMT2A (0.60) TGM2LMNANPC1MEN1KMT2A
SCHEMBL28619644 0.77 KMT2A (0.60) TGM2LMNANPC1MEN1KMT2A
SCHEMBL28617369 0.77 KMT2A (0.60) TGM2LMNANPC1MEN1KMT2A
SCHEMBL17327878 0.77 TGM2 (0.63) TGM2F13A1LMNATGM1TGM3
SCHEMBL20691193 0.76 TGM2 (0.62) TGM2F13A1LMNATGM1TGM3
SCHEMBL21179444 0.75 GSTO1 (0.40) TGM2F13A1LMNATGM1TGM3
SCHEMBL28620280 0.75 TGM2 (0.61) TGM2LMNANPC1RAB9AMEN1
SCHEMBL28619301 0.75 TGM2 (0.61) TGM2LMNANPC1RAB9AMEN1
SCHEMBL28624100 0.75 B3GNT2 (0.47) TGM2LMNANPC1RAB9AMEN1
SCHEMBL28627367 0.75 TGM2 (0.47) TGM2F13A1LMNATGM1TGM3

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-118754861-A Substituted alkynylene compounds as anticancer agents 奥里吉恩肿瘤学有限公司 2024-10-11 CN disclosed
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-11633394-B2 Substituted alkynylene compounds as anticancer agents AURIGENE ONCOLOGY LIMITED (IN) 2023-04-25 US disclosed
EP-3740473-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS Aurigene Discovery Technologies Limited (IN) 2020-11-25 EP 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 TGM2 2376/4885F13A1 4245/4885LMNA 1512/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 TGM2 2376/4885F13A1 4245/4885LMNA 1512/4885

“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.