SCHEMBL1989684

SCHEMBL1989684

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCOC5)c(Cl)c3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 7/20 0.35
NPY2R P49146 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
EPHB3 P54753 1/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
PHGDH O43175 1/20 0.34
DGAT1 O75907 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 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
SCHEMBL1994652 0.89 MAPT (0.36) ALDH1A1KMT2ATDP1MAPTNPY2R
SCHEMBL1993154 0.89 MAPT (0.43) ALDH1A1HTTNPSR1MAPTCYP1A2
SCHEMBL942787 0.88 PHGDH (0.36) ALDH1A1KMT2ATDP1MAPTNPY2R
SCHEMBL1988085 0.87 MAPT (0.42) ALDH1A1HTTNPSR1MAPTCYP1A2
SCHEMBL1989279 0.86 HTT (0.42) ALDH1A1KMT2AHTTNPSR1MAPT
SCHEMBL15162507 0.85 MAPT (0.40) ALDH1A1HTTNPSR1MAPTCYP1A2
SCHEMBL1126371 0.84 MAPT (0.39) ALDH1A1KMT2ATDP1MAPTNPY2R
SCHEMBL942972 0.80 MAPT (0.35) ALDH1A1KMT2AHTTNPSR1MAPT
SCHEMBL1993691 0.80 MAPT (0.42) ALDH1A1KMT2AHTTNPSR1MAPT
SCHEMBL1126838 0.79 MAPT (0.38) ALDH1A1KMT2AMAPTNPY2RMEN1

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 ALDH1A1 219/4885KMT2A 3996/4885TDP1 903/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KMT2A 3996/4885TDP1 903/4885

“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.