SCHEMBL3896372

SCHEMBL3896372

COc1ccc2cc(-c3ccccc3)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.47
▸ ABL1 P00519 2/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP4B1 P13584 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CYP2A7 P20853 1/20 0.40
▸ CYP3A7 P24462 1/20 0.40
▸ CYP2F1 P24903 1/20 0.40
▸ CYP2C18 P33260 1/20 0.40
▸ CYP2C19 P33261 1/20 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
SCHEMBL1847594 0.78 RAB9A (0.61) ALDH1A3ABL1ABCB1BCRNPC1
SCHEMBL7172987 0.78 ALDH1A3 (0.42) ALDH1A3CYP1A2CYP2A6CYP11B1CYP11B2
SCHEMBL3889948 0.77 HRH3 (0.47) ALDH1A3CYP1A2NPC1RAB9AKDM4E
SCHEMBL7167040 0.74 ACHE (0.43) ALDH1A3ABL1ABCB1BCRCYP1A1
SCHEMBL7994448 0.73 MMP3 (0.46) ABL1ABCB1BCRCYP3A4CYP2C9
SCHEMBL1645629 0.73 ALDH1A3 (0.42) ALDH1A3CYP11B1CYP11B2NPC1RAB9A
SCHEMBL7169837 0.72 TP53 (0.39) CYP1A2CYP2A6NPC1RAB9AKDM4E
SCHEMBL1851663 0.72 NPC1 (0.58) ALDH1A3ABL1ABCB1BCRCYP1A1
SCHEMBL2407878 0.71 CYP1A1 (0.74) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL6821430 0.70 PDE10A (0.46) ALDH1A3ADORA1NPC1RAB9AKDM4E

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 10 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
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
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 (3 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 ALDH1A3 2640/4885ABL1 564/4885ABCB1 1740/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 ALDH1A3 3749/4885ABL1 814/4885ABCB1 106/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A3 1576/4885ABL1 803/4885ABCB1 547/4885

“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.

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