SCHEMBL2145506

SCHEMBL2145506

O=C1C=C/C(=C\c2ccccc2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CYP1A2 P05177 2/20 0.41
CA2 P00918 1/20 0.41
NAT1 P18440 1/20 0.41
EPHX1 P07099 1/20 0.41
CISD1 Q9NZ45 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
F3 P13726 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2145508 1.00 PIM1 (0.44) PIM1PIM3PIM2CYP1A2CA2
SCHEMBL2145501 1.00 PIM1 (0.44) PIM1PIM3PIM2CYP1A2CA2
SCHEMBL2514796 0.71 KMT2A (0.51) PIM1CYP1A2NFKB1NFKB2RELA
SCHEMBL2514798 0.71 KMT2A (0.51) PIM1CYP1A2NFKB1NFKB2RELA
SCHEMBL2514795 0.71 KMT2A (0.51) PIM1CYP1A2NFKB1NFKB2RELA
SCHEMBL2145267 0.67 PIM1 (0.44) PIM1PIM3PIM2CYP1A2CA2
SCHEMBL2522094 0.67 ALDH1A1 (0.33) ALDH1A1HPGDKMT2AMAPTTDP1
SCHEMBL2145265 0.67 PIM1 (0.44) PIM1PIM3PIM2CYP1A2CA2
SCHEMBL2145271 0.67 PIM1 (0.44) PIM1PIM3PIM2CYP1A2CA2
SCHEMBL2520193 0.66 KMT2A (0.45) POLBALDH1A1HPGDMEN1KMT2A

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-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OLSO (NO) 2011-10-13 US disclosed
EP-2346330-A1 ANTIMICROBIAL COMPOSITIONS AND USES Universitetet I Oslo (NO) 2011-07-27 EP disclosed
WO-2010040839-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OSLO (NO) 2010-04-15 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-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES CBR3, C5, C3AR1 PIM1 1274/4885PIM3 715/4885PIM2 2000/4885

“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.