SCHEMBL4180873

SCHEMBL4180873

Cc1ccc2c(N3CCN(C(=O)O)CC3)ccc(Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
SLC6A4 P31645 2/20 0.46
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NCF1 P14598 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 5/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CLK1 P49759 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
IDE P14735 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4185271 0.84 MEN1 (0.44) HTR1AHTR1DHTR1BSLC6A4MEN1
SCHEMBL28809307 0.82 KMT2A (0.45) KDM4EMEN1KMT2ANCF1ALDH1A1
SCHEMBL4169649 0.79 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KDM4E
SCHEMBL4178112 0.77 NCF1 (0.59) HTR1AHTR1DHTR1BSLC6A4MEN1
SCHEMBL25096858 0.72 CKS1B (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL30217575 0.72 CKS1B (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3901240 0.70 PPARA (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL2878919 0.70 MAP4K4 (0.43) HTR1AHTR1DHTR1BSLC6A4MEN1
SCHEMBL23777678 0.68 AKR1C3 (0.66) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL27237912 0.68 ALDH1A1 (0.55) KDM4EMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX HTR1A 47/4885HTR1D 75/4885HTR1B 39/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885HTR1D 569/4885HTR1B 252/4885

“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.