SCHEMBL1127545

SCHEMBL1127545

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2cnc3ccccc3c2)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
KDR P35968 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 5/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
NOTUM Q6P988 1/20 0.47
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
TP53 P04637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL1126931 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1126595 0.81 RAB9A (0.48) RAB9ANPC1KDRSMN1; SMN2POLB
SCHEMBL1126812 0.79 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL1127110 0.77 L3MBTL1 (0.46) RAB9AMAPTKDM4ETRPV1
SCHEMBL1126896 0.75 RAB9A (0.49) RAB9ANPC1KDRSMN1; SMN2POLB
SCHEMBL1127303 0.75 CHRNB2 (0.50) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL1127233 0.74 MEN1 (0.50) SMN1; SMN2MAPTKDM4ELMNAHDAC6
SCHEMBL23880568 0.74 KDR (0.70) RAB9ANPC1KDRSMN1; SMN2POLB
SCHEMBL651159 0.74 KDR (0.74) RAB9ANPC1KDRSMN1; SMN2POLB
SCHEMBL1127228 0.74 FAAH (0.40) RAB9ANPC1SMN1; SMN2POLBMAPT

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 13 patents. 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
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-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-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 RAB9A 729/4885NPC1 491/4885KDR 3971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885KDR 3971/4885

“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.