SCHEMBL19239489

SCHEMBL19239489

CN1C(=O)c2ccc3c4c(Cl)cc5c6c(ccc(c7c(Cl)cc(c2c37)C1=O)c64)C(=O)N(C)C5=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
USP2 O75604 2/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.44
PRMT1 Q99873 1/20 0.44
TERT O14746 4/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
ERCC1 P07992 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 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
SCHEMBL19239499 0.95 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL19239493 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL12744258 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL12108309 0.81 MEN1 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL12869424 0.79 MEN1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL12744259 0.79 MEN1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL12108331 0.79 MEN1 (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL19245387 0.79 KDM4E (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17514440 0.79 KDM4E (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17514412 0.78 STAT3 (0.47) ALDH1A1KDM4EMEN1KMT2AUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM BASF SE (DE) 2017-08-31 US disclosed
US-20170237005-A1 PROCESS FOR PREPARING A CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2017-08-17 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 US 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP ALDH1A1 752/4885KDM4E 3372/4885HPGD 2687/4885
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM CRY1, NEFM, OR10J3 ALDH1A1 4298/4885KDM4E 4719/4885HPGD 4394/4885

“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.