SCHEMBL1127393

SCHEMBL1127393

CCc1cc(-c2ccccc2)cn1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CREBBP Q92793 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
PDE10A Q9Y233 1/20 0.34
IDH1 O75874 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR4A2 P43354 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL1126969 0.85 BRD4 (0.47) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1990116 0.79 BRD4 (0.46) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1127035 0.78 BRD4 (0.45) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL11878553 0.74 SMN1; SMN2 (0.46) BRD4ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL28329745 0.74 CCNC (0.43) BRD4CREBBPTP53MAPTSMN1; SMN2
SCHEMBL1127170 0.74 CNR1 (0.43) BRD4ALDH1A1GLATSHR
SCHEMBL1126626 0.72 BRD4 (0.60) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL17266867 0.69 BRD4 (0.52) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1126710 0.69 BRD4 (0.52) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL24556388 0.67 BRD4 (1.00) BRD4ALDH1A1KDM4EGLAGAA

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 BRD4 3630/4885ALDH1A1 219/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885ALDH1A1 219/4885KDM4E 1706/4885

“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.