SCHEMBL4099367

SCHEMBL4099367

Cc1cccc(C)c1Sc1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP3A4 P08684 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CD44 P16070 1/20 0.46
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE7A Q13946 1/20 0.42

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
SCHEMBL3859717 0.87 CYP3A4 (0.52) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL9488226 0.84 HAO1 (0.47) TDP1CYP1A2ALDH1A1TSHR
SCHEMBL18641365 0.82 MYC (0.49) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL16242606 0.82 CYP3A4 (0.47) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL16602223 0.78 MAPT (0.73) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL16257068 0.78 CD44 (0.40) LMNACYP3A4TDP1CD44ALDH1A1
SCHEMBL16242597 0.77 LMNA (0.49) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL29869345 0.77 MEN1 (0.68) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL713707 0.77 MEN1 (0.68) LMNACYP3A4MAPTTDP1MEN1
SCHEMBL9488037 0.76 HTR1A (0.45) CYP3A4CYP1A2CYP2C9ALDH1A1SMN1; 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 1583/4885CYP3A4 437/4885MAPT 450/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 LMNA 1583/4885CYP3A4 437/4885MAPT 450/4885

“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.