SCHEMBL1126444

SCHEMBL1126444

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3Cl)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CHRM1 P11229 4/20 0.40
MALT1 Q9UDY8 1/20 0.40
NPY2R P49146 5/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM5 P08912 2/20 0.38
CHRM3 P20309 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
PHGDH O43175 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
SCHEMBL1126695 0.92 NPY2R (0.41) RAB9ANPY2RHTTTP53MAPT
SCHEMBL30234686 0.92 MAPT (0.37) RAB9ANPY2RHTTTP53MAPT
SCHEMBL1127148 0.92 MAPT (0.37) RAB9ANPY2RHTTTP53MAPT
SCHEMBL23488118 0.89 MAPT (0.35) RAB9ANPY2RHTTTP53MAPT
SCHEMBL1127012 0.88 NPC1 (0.40) NPC1RAB9ACHRM1NPY2RHTT
SCHEMBL1991280 0.88 MAPT (0.42) NPC1RAB9ACHRM1MALT1HTT
SCHEMBL30234731 0.88 MAPT (0.42) NPC1RAB9AHTTTP53MAPT
SCHEMBL1127284 0.88 MAPT (0.42) NPC1RAB9AHTTTP53MAPT
SCHEMBL1990112 0.86 CHRM1 (0.38) NPC1RAB9ACHRM1MALT1NPY2R
SCHEMBL943289 0.86 NPY2R (0.37) NPC1RAB9ACHRM1NPY2RHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
US-11065228-B2 Antifungal agents F2G LIMITED (GB) 2021-07-20 US disclosed
US-20200179340-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2020-06-11 US disclosed
US-10596150-B2 Antifungal agents F2G LIMITED (GB) 2020-03-24 US disclosed
US-20190314333-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2019-10-17 US disclosed
US-10201524-B2 Antifungal agents F2G LIMITED (GB) 2019-02-12 US disclosed
EP-3415511-A1 ANTIFUNGAL AGENTS F2G Limited (GB) 2018-12-19 EP 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-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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 (7 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-20200179340-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 NPC1 231/4885RAB9A 2073/4885CHRM1 4294/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885RAB9A 729/4885CHRM1 153/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885RAB9A 729/4885CHRM1 153/4885
US-11065228-B2 Antifungal agents DPM1, AADAC, PIK3C3 NPC1 231/4885RAB9A 2073/4885CHRM1 4294/4885
US-20190314333-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 NPC1 231/4885RAB9A 2073/4885CHRM1 4294/4885
US-10201524-B2 Antifungal agents DPM1, AADAC, PIK3C3 NPC1 231/4885RAB9A 2073/4885CHRM1 4294/4885
US-10596150-B2 Antifungal agents DPM1, AADAC, PIK3C3 NPC1 231/4885RAB9A 2073/4885CHRM1 4294/4885

“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.