SCHEMBL1127684

SCHEMBL1127684

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1CCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CHEK1 O14757 1/20 0.39
SRC P12931 1/20 0.39
WEE1 P30291 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGER4 P35408 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL1127378 0.84 HPGD (0.41) ALDH1A1SMN1; SMN2TSHRHTTHPGD
SCHEMBL23488097 0.83 THRB (0.40) ALDH1A1POLBSMN1; SMN2KDM4ETSHR
SCHEMBL1990968 0.82 NOTUM (0.35) ALDH1A1SMN1; SMN2KDM4EALOX15KMT2A
SCHEMBL15161860 0.82 LMNA (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL1993901 0.82 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ETSHRHTT
SCHEMBL1126938 0.81 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4ETSHRHPGD
SCHEMBL1127188 0.81 TP53 (0.52) ALDH1A1CYP1A2SMN1; SMN2KDM4ETSHR
SCHEMBL1126982 0.81 TP53 (0.35) ALDH1A1POLBSMN1; SMN2KDM4ETSHR
SCHEMBL1126775 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPTGER4KMT2A
SCHEMBL1127235 0.81 THRB (0.37) ALDH1A1SMN1; SMN2KDM4ETSHRHPGD

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 9 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-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 219/4885CYP1A2 86/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885CYP1A2 86/4885POLB 3827/4885

“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.