SCHEMBL1991279

SCHEMBL1991279

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)ccn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPY2R P49146 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL15161945 0.92 HTR1A (0.44) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL1996541 0.92 REV1 (0.40) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL1126855 0.90 RAB9A (0.41) MAPTALDH1A1KMT2ANPY2RGAA
SCHEMBL1126471 0.89 LMNA (0.38) MAPTALDH1A1MEN1KMT2ANPY2R
SCHEMBL1993111 0.88 ALDH1A1 (0.42) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL30235338 0.88 ALDH1A1 (0.42) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL1993424 0.87 SLC2A1 (0.37) MAPTALDH1A1MEN1KMT2ANPY2R
SCHEMBL1989483 0.87 KCNH2 (0.41) DRD3MAPTALDH1A1KMT2ANPY2R
SCHEMBL1993703 0.85 LMNA (0.37) MAPTALDH1A1MEN1KMT2ANPY2R
SCHEMBL1126600 0.85 MAPT (0.38) MAPTALDH1A1KMT2ANPY2RGAA

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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 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 DRD4 1570/4885DRD2 2160/4885DRD3 2064/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DRD4 1570/4885DRD2 2160/4885DRD3 2064/4885

“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.