SCHEMBL1126440

SCHEMBL1126440

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1cccc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.39
CNR2 P34972 2/20 0.38
DGAT2 Q96PD7 2/20 0.38
CYP2C9 P11712 1/20 0.38
TNF P01375 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1126827 0.93 ALDH1A1 (0.46) ALDH1A1PKMMAPK1HPGDTDP1
SCHEMBL1126720 0.86 TNF (0.44) ALDH1A1MAPK1HPGDCNR2DGAT2
SCHEMBL1127201 0.83 MEN1 (0.44) ALDH1A1PKMMAPK1L3MBTL1SMN1; SMN2
SCHEMBL1127303 0.75 CHRNB2 (0.50) ALDH1A1HPGDCNR2CYP2C9SMN1; SMN2
SCHEMBL1127378 0.74 HPGD (0.41) ALDH1A1MAPK1HPGDTDP1CNR2
SCHEMBL1127123 0.73 ALDH1A1 (0.40) ALDH1A1HPGDTDP1CNR2SMN1; SMN2
SCHEMBL1127213 0.72 NPC1 (0.39) ALDH1A1HPGDCYP2C9SMN1; SMN2
SCHEMBL1989043 0.71 MAPT (0.38) POLB
SCHEMBL1989483 0.71 KCNH2 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAPOLB
SCHEMBL1126522 0.71 MAPT (0.37) LMNAPOLB

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
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
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-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885PKM 1349/4885MAPK1 1181/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885PKM 1349/4885MAPK1 1181/4885

“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.