SCHEMBL1992676

SCHEMBL1992676

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5cccs5)cc(C)n4C)c(Cl)c3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 3/20 0.36
PHGDH O43175 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
MAP3K7 O43318 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL1126869 0.88 NPC1 (0.43) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL1126371 0.88 MAPT (0.39) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL1990466 0.86 NPC1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1991280 0.85 MAPT (0.42) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL1128005 0.79 MAPT (0.36) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL1992455 0.79 NPC1 (0.43) MAPTKMT2AALDH1A1HDAC3LMNA
SCHEMBL1991665 0.77 HCRTR1 (0.44) MAPTMEN1KMT2AALDH1A1HDAC3
SCHEMBL1126838 0.77 MAPT (0.38) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL1993167 0.76 PANK3 (0.42) MAPTKMT2AALDH1A1HDAC3LMNA
SCHEMBL1994652 0.75 MAPT (0.36) MAPTMEN1KMT2AALDH1A1PHGDH

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 MAPT 1696/4885MEN1 77/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885MEN1 77/4885KMT2A 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.