SCHEMBL1996790

SCHEMBL1996790

Cc1cc(C)nc(NCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCC4)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
PHGDH O43175 2/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
HTT P42858 3/20 0.34
CASR P41180 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
CLK1 P49759 1/20 0.33
GBA1 P04062 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC2A1 P11166 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
SCHEMBL1988549 0.90 CASR (0.34) SMN1; SMN2ALDH1A1TRPV1PHGDHMAPT
SCHEMBL1988515 0.89 ADRB1 (0.33) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1990491 0.88 CASR (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1993221 0.87 HCRTR1 (0.35) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1988517 0.86 LMNA (0.34) SMN1; SMN2ALDH1A1TRPV1MAPTLMNA
SCHEMBL1989286 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1988199 0.82 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1991591 0.81 KCNA5 (0.37) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1989804 0.81 LMNA (0.35) SMN1; SMN2ALDH1A1TRPV1MAPTLMNA
SCHEMBL1645575 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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 SMN1; SMN2 2831/4885ALDH1A1 219/4885TRPV1 3569/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SMN1; SMN2 2831/4885ALDH1A1 219/4885TRPV1 3569/4885

“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.