SCHEMBL3885787

SCHEMBL3885787

C=CCc1c(F)ccc([N+](=O)[O-])c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35

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
SCHEMBL1448192 0.81 TDP1 (0.40) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL27431911 0.80 TDP1 (0.41) ALDH1A1HTTHPGDCYP3A4GABRA1
SCHEMBL3882438 0.78 GPR35 (0.42) ALDH1A1HPGDCYP3A4GABRA1GABRB2
SCHEMBL7737795 0.76 TDP1 (0.46) ALDH1A1HTTCYP3A4KMT2ATDP1
SCHEMBL521184 0.75 TDP1 (0.44) ALDH1A1HTTCYP3A4KMT2ATDP1
SCHEMBL31150399 0.75 TDP1 (0.44) ALDH1A1HTTCYP3A4KMT2ATDP1
SCHEMBL3335579 0.74 MAPT (0.42) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3883594 0.74 ALDH1A1 (0.37) ALDH1A1HPGDCYP3A4GABRA1GABRB2
SCHEMBL22587614 0.72 TDP1 (0.42) ALDH1A1HTTCYP1A2KMT2ATDP1
SCHEMBL19181006 0.72 TDP1 (0.47) ALDH1A1HTTKMT2ATDP1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 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 (1 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 ALDH1A1 510/4885HTT 3105/4885HPGD 1485/4885

“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.