SCHEMBL1990333

SCHEMBL1990333

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.41
MT-CO2 P00403 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACVR1 Q04771 1/20 0.39
NPY2R P49146 1/20 0.39
FLT3 P36888 2/20 0.39
MAPT P10636 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR6 P50406 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
SCHEMBL15161945 0.86 HTR1A (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL1126855 0.85 RAB9A (0.41) ALDH1A1HSD17B10NPY2RMAPTNPC1
SCHEMBL1989483 0.85 KCNH2 (0.41) ALDH1A1CYP1A2CYP3A4HSD17B10NPY2R
SCHEMBL1991279 0.84 DRD4 (0.39) ALDH1A1CYP3A4HSD17B10NPY2RMAPT
SCHEMBL1126471 0.84 LMNA (0.38) ALDH1A1CYP1A2CYP3A4HIF1AHSD17B10
SCHEMBL1126600 0.83 MAPT (0.38) ALDH1A1HSD17B10NPY2RMAPTNPC1
SCHEMBL1993424 0.82 SLC2A1 (0.37) ALDH1A1CYP1A2CYP3A4HSD17B10NPY2R
SCHEMBL1996541 0.82 REV1 (0.40) ALDH1A1CYP3A4HPGDHSD17B10NPY2R
SCHEMBL1993703 0.80 LMNA (0.37) ALDH1A1CYP1A2CYP3A4HPGDHIF1A
SCHEMBL1127185 0.79 MALT1 (0.37) ALDH1A1HPGDHSD17B10NPY2RMAPT

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-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPKAPK2 4554/4885MT-CO2 1652/4885ALDH1A1 219/4885

“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.