SCHEMBL1019655

SCHEMBL1019655

O=[N+]([O-])c1ccc(N2CCN(c3ccc(CN4CCOCC4)cn3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
KCNJ1 P48048 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
NPBWR1 P48145 1/20 0.58
MCHR1 Q99705 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
AKR1C3 P42330 1/20 0.50
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49

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
SCHEMBL1648931 0.87 LMNA (0.83) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL1021408 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL445885 0.80 ALDH1A1 (0.97) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL942247 0.80 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL16370438 0.79 ALDH1A1 (0.94) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL14726057 0.79 ALDH1A1 (1.00) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL341002 0.77 ALDH1A1 (1.00) ALDH1A1MAPTLMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL29388956 0.77 ALDH1A1 (0.97) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL1126953 0.76 MEN1 (0.64) ALDH1A1MAPTLMNACYP1A2CYP2C9
SCHEMBL1019958 0.75 MEN1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2

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 11 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-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 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
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 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 ALDH1A1 219/4885MAPT 1696/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885LMNA 3641/4885

“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.