SCHEMBL3035829

SCHEMBL3035829

COC(=O)CN(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.45
LMNA P02545 5/20 0.43
MAOA P21397 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
POLB P06746 2/20 0.43
HSD11B1 P28845 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 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
SCHEMBL16982007 0.83 RAB9A (0.46) POLBRAB9ANPC1ALDH1A1CYP2C9
SCHEMBL12086947 0.83 POLB (0.52) LMNAPOLBHSD11B1RAB9ANPC1
SCHEMBL95796 0.83 POLB (0.40) POLBHSD11B1RAB9ANPC1ALDH1A1
SCHEMBL19555371 0.83 TDP1 (0.50) LMNAPOLBHSD11B1RAB9ANPC1
SCHEMBL24722155 0.82 MAPT (0.44) PHLPP2LMNAMAOACYP1A2CYP3A4
SCHEMBL12459931 0.81 LMNA (0.44) PHLPP2LMNAMAOACYP1A2CYP3A4
SCHEMBL12001994 0.80 RAB9A (0.41) POLBHSD11B1RAB9ANPC1TSHR
SCHEMBL1221521 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL22123144 0.80 GAA (0.43) LMNAMAOACYP1A2CYP3A4POLB
SCHEMBL25526179 0.78 LMNA (0.48) PHLPP2LMNAMAOACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
EP-1928827-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2008-06-11 EP disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 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 (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-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 PHLPP2 20/4885LMNA 3387/4885MAOA 2529/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 PHLPP2 20/4885LMNA 3387/4885MAOA 2529/4885

“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.