SCHEMBL18851007

SCHEMBL18851007

CN(C)C(=O)c1cc(Br)cc2[nH]c(/C=C/c3ccc(Cl)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
STAT3 P40763 1/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
DAO P14920 1/20 0.35
PTGS2 P35354 2/20 0.33
MAOB P27338 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL20545086 1.00 ALDH1A1 (0.42) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL17422743 0.86 F7 (0.43) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL17422745 0.86 F7 (0.43) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL17433433 0.84 NR4A2 (0.46) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL18851499 0.78 ALOX5 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL20545630 0.76 KMT2A (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL18851306 0.76 KMT2A (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL20545167 0.75 ALDH1A1 (0.39) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL18849058 0.75 ALDH1A1 (0.39) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL17433412 0.68 PRMT1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 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 (1 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 ALDH1A1 803/4885STAT3 4677/4885MAPT 3944/4885

“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.