SCHEMBL1990351

SCHEMBL1990351

Cc1ccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCOC5)cc3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.42
MAPT P10636 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
PANK3 Q9H999 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL1988718 0.89 CHRNA7 (0.41) DGAT1MAPTCYP1A2CHRNA7ALDH1A1
SCHEMBL1994121 0.89 ALDH1A1 (0.43) DGAT1MAPTALDH1A1POLBGAA
SCHEMBL1993121 0.88 PANK3 (0.41) DGAT1MAPTCYP1A2CYP2C19CHRNA7
SCHEMBL1993154 0.87 MAPT (0.43) DGAT1MAPTCYP1A2CHRNA7ALDH1A1
SCHEMBL943584 0.87 PANK3 (0.41) DGAT1MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL1993691 0.86 MAPT (0.42) DGAT1MAPTCYP1A2CHRNA7ALDH1A1
SCHEMBL1988085 0.85 MAPT (0.42) DGAT1MAPTCYP1A2CHRNA7ALDH1A1
SCHEMBL2007078 0.84 REV1 (0.40) DGAT1MAPTCHRNA7ALDH1A1POLB
SCHEMBL1127380 0.83 MAPT (0.41) DGAT1MAPTCYP1A2CHRNA7ALDH1A1
SCHEMBL15162507 0.83 MAPT (0.40) DGAT1MAPTCYP1A2CHRNA7ALDH1A1

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 DGAT1 4315/4885MAPT 1696/4885CYP1A2 86/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DGAT1 4315/4885MAPT 1696/4885CYP1A2 86/4885

“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.