SCHEMBL1127205

SCHEMBL1127205

Cc1cc(C)nc(OCCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.42
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
IKBKB O14920 1/20 0.40
POLQ O75417 1/20 0.39
NUDT1 P36639 2/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25029268 0.81 KMT2A (0.60) NOS3NOS2NOS1KMT2ATHRB
SCHEMBL17127911 0.78 NOS3 (0.41) NOS3NOS2NOS1KMT2ATHRB
SCHEMBL17974951 0.78 POLQ (0.48) NOS3NOS2NOS1KMT2ATHRB
SCHEMBL942231 0.76 ALDH1A1 (0.47) NOS3NOS2NOS1KMT2AALDH1A1
SCHEMBL19007358 0.75 NOS3 (0.39) NOS3NOS2NOS1KMT2ATHRB
SCHEMBL28798494 0.75 KMT2A (0.40) NOS3NOS2NOS1KMT2ATHRB
SCHEMBL23074667 0.74 ALDH1A1 (0.46) NOS3NOS2NOS1ALDH1A1LMNA
SCHEMBL8352772 0.73 LOXL2 (0.46) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL5859072 0.73 HTR7 (0.44) NOS3NOS2
SCHEMBL1987466 0.72 F2 (0.40) NOS3NOS2NOS1KMT2APOLQ

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 9 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
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 (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 NOS3 234/4885NOS2 372/4885NOS1 41/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NOS3 234/4885NOS2 372/4885NOS1 41/4885

“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.