SCHEMBL1994652

SCHEMBL1994652

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCC5)c(Cl)c3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPY2R P49146 1/20 0.36
PHGDH O43175 3/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
DGAT1 O75907 1/20 0.33
GBA1 P04062 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALK Q9UM73 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
TNK2 Q07912 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL942787 0.98 PHGDH (0.36) MAPTALDH1A1KMT2AMEN1NPY2R
SCHEMBL942972 0.90 MAPT (0.35) MAPTALDH1A1KMT2AMEN1PHGDH
SCHEMBL1989684 0.89 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1NPY2R
SCHEMBL1988199 0.88 MAPT (0.39) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1989759 0.87 ALDH1A1 (0.39) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1126371 0.86 MAPT (0.39) MAPTALDH1A1KMT2AMEN1NPY2R
SCHEMBL942106 0.86 MAPT (0.33) MAPTALDH1A1KMT2AMEN1PHGDH
SCHEMBL943156 0.86 ALDH1A1 (0.40) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1990112 0.85 CHRM1 (0.38) MAPTALDH1A1KMT2AMEN1NPY2R
SCHEMBL1991892 0.85 MAPT (0.40) MAPTALDH1A1KMT2AMEN1KDM4E

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 MAPT 1696/4885ALDH1A1 219/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885KMT2A 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.