SCHEMBL7999817

SCHEMBL7999817

COCc1c(-c2ccccc2)cn2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 9/20 0.50
HPGD P15428 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 4/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL30733914 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL13438866 0.82 HRH3 (0.55) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL7174133 0.79 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL1435590 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL4276497 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL7169102 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL6213376 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL11184258 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL6510445 0.75 KDM4E (0.50) KDM4EALDH1A1HPGDGAAMEN1
Iodide SCHEMBL6216315 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HPGDGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 KDM4E 2593/4885ALDH1A1 2813/4885HPGD 3452/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 KDM4E 1543/4885ALDH1A1 318/4885HPGD 3047/4885

“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.