SCHEMBL1645652

SCHEMBL1645652

CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5ccc(F)cn45)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 3/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPK10 P53779 2/20 0.40
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2231057 0.90 ALDH1A1 (0.43) REV1DRD2DRD4DRD3ALDH1A1
SCHEMBL1646298 0.89 THRB (0.51) REV1DRD2DRD4DRD3ALDH1A1
SCHEMBL1645042 0.88 ALDH1A1 (0.49) REV1ALDH1A1KDM4EMAPTLMNA
SCHEMBL1646661 0.87 THRB (0.49) REV1DRD2DRD4DRD3ALDH1A1
SCHEMBL1645450 0.85 MAPT (0.41) REV1ALDH1A1KDM4EMAPTLMNA
SCHEMBL1992803 0.83 REV1 (0.44) REV1DRD2DRD4DRD3ALDH1A1
SCHEMBL2233190 0.83 LMNA (0.44) REV1DRD4ALDH1A1KDM4EMAPT
SCHEMBL1644569 0.83 MAPT (0.43) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1644596 0.82 MAPT (0.44) REV1DRD4ALDH1A1KDM4EMAPT
SCHEMBL1991453 0.81 REV1 (0.42) REV1DRD2DRD4DRD3ALDH1A1

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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN 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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP 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 REV1 2715/4885DRD2 526/4885DRD4 280/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 REV1 3574/4885DRD2 3313/4885DRD4 3126/4885

“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.