SCHEMBL1991591

SCHEMBL1991591

Cc1cc(C)nc(OCCOc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCC4)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.37
GPR84 Q9NQS5 1/20 0.35
ADAM17 P78536 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL945683 0.98 KCNA5 (0.36) KCNA5GPR84ADAM17SMN1; SMN2TDP1
SCHEMBL1993221 0.91 HCRTR1 (0.35) KCNA5SMN1; SMN2HCRTR1HCRTR2LMNA
SCHEMBL943284 0.89 ADAM17 (0.38) KCNA5ADAM17KDM4EMAPTHTT
SCHEMBL1989596 0.88 MAPT (0.40) KCNA5SMN1; SMN2HCRTR1HCRTR2LMNA
SCHEMBL1126718 0.87 KCNA5 (0.35) KCNA5ADAM17SMN1; SMN2LMNAKDM4E
SCHEMBL1991373 0.84 HCRTR1 (0.39) KCNA5SMN1; SMN2TDP1HCRTR1HCRTR2
SCHEMBL942418 0.82 POLB (0.36) ADAM17SMN1; SMN2LMNAMAPTHTT
SCHEMBL1646398 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TDP1HCRTR1HCRTR2LMNA
SCHEMBL1996790 0.81 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL1646859 0.81 SMN1; SMN2 (0.38) KCNA5SMN1; SMN2TDP1HCRTR1HCRTR2

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-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

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 KCNA5 1822/4885GPR84 4429/4885ADAM17 3846/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KCNA5 1822/4885GPR84 4429/4885ADAM17 3846/4885

“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.