SCHEMBL1990917

SCHEMBL1990917

Cc1cc(C)nc(N(C)CCCN(C)c2ccc(NC(=O)C(=O)c3c(-c4cccs4)cc(C)n3C)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KLK7 P49862 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 3/20 0.32
MAPT P10636 4/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
HDAC2 Q92769 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1990146 0.97 GAA (0.35) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1992166 0.93 GAA (0.34) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1989974 0.91 GAA (0.35) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1993613 0.88 LMNA (0.37) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL1988892 0.88 MAPT (0.35) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1993708 0.87 ALDH1A1 (0.36) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1988907 0.84 LMNA (0.38) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL1127212 0.81 MCHR1 (0.37) KMT2AMEN1ALDH1A1MAPTMCL1
SCHEMBL1992483 0.80 KDM4E (0.41) GAAKDM4EKMT2AMEN1KLK7
SCHEMBL1995054 0.79 DGAT1 (0.38) ALDH1A1MAPTUSP2ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GAA 554/4885KDM4E 1706/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GAA 554/4885KDM4E 1706/4885KMT2A 3996/4885

“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.