SCHEMBL4096736

SCHEMBL4096736

CC(C)c1cccc(C(C)C)c1Sc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE7A Q13946 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL16601927 0.77 KMT2A (0.64) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL4099367 0.75 LMNA (0.54) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL104513 0.73 GABRA1 (0.50) LMNASLC6A2CYP1A2CYP3A4SMN1; SMN2
SCHEMBL30223644 0.73 GABRA1 (0.50) LMNASLC6A2CYP1A2CYP3A4SMN1; SMN2
SCHEMBL713707 0.72 MEN1 (0.68) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL29869345 0.72 MEN1 (0.68) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL4096798 0.71 TSHR (0.50) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL4808650 0.71 GABRA1 (0.48) LMNASLC6A2CYP1A2CYP3A4GABRA1
Bromide SCHEMBL7344099 0.71 GABRA1 (0.48) LMNASLC6A2CYP1A2CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL2864375 0.71 GABRA1 (0.48) LMNASLC6A2CYP1A2CYP3A4SMN1; 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
EP-2039677-B1 Organic compounds containing heteroatoms and their use in ziegler-natta catalyst with single activation center SHANGHAI INST ORGANIC CHEM (CN) 2014-04-23 EP disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 US disclosed
EP-2039677-A1 ORGANIC COMPOUNDS CONTAINING HETEROATOMS AND THEIR USE IN ZIEGLER-NATTA CATALYST WITH SINGLE ACTIVATION CENTER SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-03-25 EP 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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 LMNA 1583/4885KMT2A 585/4885MEN1 676/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 LMNA 1583/4885KMT2A 585/4885MEN1 676/4885

“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.