SCHEMBL1989712

SCHEMBL1989712

Nc1ccc(N2CCN(c3ccccn3)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KCNH2 Q12809 2/20 0.47
PLD1 Q13393 1/20 0.46
KHK P50053 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
JAK2 O60674 1/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL17265646 0.81 MAPT (0.52) POLBL3MBTL1KDM4ELMNAMEN1
SCHEMBL521513 0.80 ACHE (0.52) KHKL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL6429146 0.79 KCNH2 (0.56) KCNH2PLD1KHKKDM4EMEN1
SCHEMBL1126513 0.79 HTR1A (0.58) KCNH2PLD1KDM4ELMNANPC1
SCHEMBL12807035 0.76 POLB (0.60) POLBKCNH2PLD1KHKL3MBTL1
SCHEMBL29857922 0.76 PLD1 (0.73) POLBKCNH2PLD1KDM4EMEN1
SCHEMBL21353591 0.76
SCHEMBL15800694 0.76 PLD1 (0.73) POLBKCNH2PLD1KDM4EMEN1
SCHEMBL5065321 0.75 LMNA (0.63) POLBL3MBTL1LMNANPC1ALDH1A1
SCHEMBL21682910 0.75 ALDH1A1 (0.53) POLBL3MBTL1KDM4EMEN1NPC1

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 7 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-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 POLB 3827/4885KCNH2 2060/4885PLD1 262/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885KCNH2 2060/4885PLD1 262/4885

“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.