SCHEMBL1127210

SCHEMBL1127210

Cc1cc(C)nc(CNCCCc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
S1PR3 Q99500 2/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 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
SCHEMBL1993612 0.87 USP2 (0.38) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL1988540 0.86 ADRB1 (0.41) ADRB1ADRB3KMT2AMEN1CYP3A4
SCHEMBL1988906 0.85 LMNA (0.36) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL1645347 0.84 HTT (0.39) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL1127212 0.82 MCHR1 (0.37) KMT2AMEN1ALDH1A1NTRK1NTRK2
SCHEMBL1989977 0.79 CFTR (0.35) ADRB1ADRB3ALDH1A1NPC1LMNA
SCHEMBL1989286 0.78 SMN1; SMN2 (0.38) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL1989972 0.78 KDM4E (0.36) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL1646599 0.77 MAPT (0.53) ADRB1ADRB3KMT2AMEN1ALDH1A1
SCHEMBL1644873 0.77 LMNA (0.37) ADRB1ADRB3KMT2AMEN1ALDH1A1

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 7 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-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 ADRB1 2659/4885ADRB3 3274/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ADRB1 2659/4885ADRB3 3274/4885KMT2A 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.